methyl 3-(4-methylsulfanylphenyl)-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 3-(4-methylsulfanylphenyl)-1-benzothiophene-5-carboxylate Openeye Name: methyl 3-(4-methylsulfanylphenyl)benzothiophene-5-carboxylate CAS Name: 3-[4-(methylthio)phenyl]-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfanylphenyl)-1-benzothiophene-5-carboxylate Traditional Name: 3-[4-(methylthio)phenyl]benzothiophene-5-carboxylic acid methyl ester Formula: C17H14O2S2 MolecularWeight: 314.42186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC=C2C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC=C2C3=CC=C(C=C3)SC

InChI

InChI=1S/C17H14O2S2/c1-19-17(18)12-5-8-16-14(9-12)15(10-21-16)11-3-6-13(20-2)7-4-11/h3-10H,1-2H3