methyl 2-(4-methylsulfanylphenyl)-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(4-methylsulfanylphenyl)-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(4-methylsulfanylphenyl)benzothiophene-3-carboxylate CAS Name: 2-[4-(methylthio)phenyl]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylsulfanylphenyl)-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(methylthio)phenyl]benzothiophene-3-carboxylic acid methyl ester Formula: C17H14O2S2 MolecularWeight: 314.42186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)SC

InChI

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