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Benzothiophenes
Description:
Organic compounds containing a benzene fused to a thiepine ring (a five-membered ring with six carbon atoms and one sulfur atom).
Ancestors:
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3,7-Diaminodibenzo[b,d]thiophene 5,5-dioxideCas Number: 6259-19-4 Compound CID: 80412Formula: C12H10N2O2S Molecular Weight: 246.29IUPAC Name: 5,5-dioxodibenzothiophene-3,7-diamineSMILES: C1=CC2=C(C=C1N)S(=O)(=O)C3=C2C=CC(=C3)NInChIKey: FUXZRRZSHWQAAA-UHFFFAOYSA-NInChI: InChI=1S/C12H10N2O2S/c13-7-1-3-9-10-4-2-8(14)6-12(10)17(15,16)11(9)5-7/h1-6H,13-14H2Synonyms: Benzidine sulfone -
SertaconazoleCas Number: 99592-32-2Formula: C20H15Cl3N2OS Molecular Weight: 437.77IUPAC Name: 1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazoleSMILES: C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)ClInChIKey: JLGKQTAYUIMGRK-UHFFFAOYSA-NInChI: InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2
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Methyl3-amino-4-chloro-1-benzothiophene-2-carboxylateCas Number: 35212-86-3 Compound CID: 2818443Formula: C10H8ClNO2S Molecular Weight: 241.69IUPAC Name: methyl 3-amino-4-chloro-1-benzothiophene-2-carboxylateSMILES: COC(=O)C1=C(C2=C(S1)C=CC=C2Cl)NInChIKey: POFRZYJVEIUDHS-UHFFFAOYSA-NInChI: InChI=1S/C10H8ClNO2S/c1-14-10(13)9-8(12)7-5(11)3-2-4-6(7)15-9/h2-4H,12H2,1H3
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Methyl 4-Hydroxy-1-benzothiophene-6-carboxylateCas Number: 314725-14-9 Compound CID: 82372364Formula: C10H8O3S Molecular Weight: 208.24IUPAC Name: methyl 4-hydroxy-1-benzothiophene-6-carboxylateSMILES: COC(=O)C1=CC(=C2C=CSC2=C1)OInChIKey: IRAYMNSJGYCOHV-UHFFFAOYSA-NInChI: InChI=1S/C10H8O3S/c1-13-10(12)6-4-8(11)7-2-3-14-9(7)5-6/h2-5,11H,1H3
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Methyl 3-methylbenzo[b]thiophene-2-carboxylateCas Number: 3133-81-1 Compound CID: 268658Formula: C11H10O2S Molecular Weight: 206.26IUPAC Name: methyl 3-methyl-1-benzothiophene-2-carboxylateSMILES: CC1=C(SC2=CC=CC=C12)C(=O)OCInChIKey: FDBXIMKCWBPTDG-UHFFFAOYSA-NInChI: InChI=1S/C11H10O2S/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3
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Methyl 3-hydroxybenzo[b]thiophene-2-carboxylateCas Number: 13134-76-4 Compound CID: 83165Formula: C10H8O3S Molecular Weight: 208.24IUPAC Name: methyl 3-hydroxy-1-benzothiophene-2-carboxylateSMILES: COC(=O)C1=C(C2=CC=CC=C2S1)OInChIKey: KNSQDHMBDAMMNO-UHFFFAOYSA-NInChI: InChI=1S/C10H8O3S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,11H,1H3
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Dibenzo[b，d]thiophen-3-amineCas Number: 25288-76-0 Compound CID: 425122Formula: C12H9NS Molecular Weight: 199.27IUPAC Name: dibenzothiophen-3-amineSMILES: C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)NInChIKey: HSIYJKUTMUOWPE-UHFFFAOYSA-NInChI: InChI=1S/C12H9NS/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2
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7-Bromobenzo[b]thiophen-2-amineCas Number: 547766-28-9 Compound CID: 12112208Formula: C8H6BrNSIUPAC Name: 7-bromo-1-benzothiophen-2-amineSMILES: C1=CC2=C(C(=C1)Br)SC(=C2)NInChIKey: WRWOLPUNYIVAGT-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrNS/c9-6-3-1-2-5-4-7(10)11-8(5)6/h1-4H,10H2
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6-Bromo-3-Chlorobenzo[B]Thiophene-2-Carboxylic AcidCas Number: 438613-29-7 Compound CID: 841819Formula: C9H4BrClO2S Molecular Weight: 291.55IUPAC Name: 6-bromo-3-chloro-1-benzothiophene-2-carboxylic acidSMILES: C1=CC2=C(C=C1Br)SC(=C2Cl)C(=O)OInChIKey: YTGVICLKMKCFAJ-UHFFFAOYSA-NInChI: InChI=1S/C9H4BrClO2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13)
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5-Fluoro-1-benzothiophene-2-carboxylic acidCas Number: 70060-13-8Formula: C9H5FO2S Molecular Weight: 196.20IUPAC Name: 5-fluoro-1-benzothiophene-2-carboxylic acidSMILES: C1=CC2=C(C=C1F)C=C(S2)C(=O)OInChIKey: PLVPMOSTGNZKQQ-UHFFFAOYSA-NInChI: InChI=1S/C9H5FO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
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5-Chlorobenzo[b]thiophene-3-carbaldehydeCas Number: 16296-68-7 Compound CID: 2798771Formula: C9H5ClOS Molecular Weight: 196.66IUPAC Name: 5-chloro-1-benzothiophene-3-carbaldehydeSMILES: C1=CC2=C(C=C1Cl)C(=CS2)C=OInChIKey: JDEWSTAKAXZTOX-UHFFFAOYSA-NInChI: InChI=1S/C9H5ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
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5-Chloro-3-methylbenzo[b]thiophene-2-carboxylic acidCas Number: 50451-84-8 Compound CID: 2794614Formula: C10H7ClO2S Molecular Weight: 226.68IUPAC Name: 5-chloro-3-methyl-1-benzothiophene-2-carboxylic acidSMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)OInChIKey: KEYCXZNZFABITO-UHFFFAOYSA-NInChI: InChI=1S/C10H7ClO2S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
