methyl 5-methylsulfanyl-7-phenyl-2,3-dihydro-1-benzothiophene-4-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-7-phenyl-2,3-dihydro-1-benzothiophene-4-carboxylate Openeye Name: methyl 5-methylsulfanyl-7-phenyl-2,3-dihydrobenzothiophene-4-carboxylate CAS Name: 5-(methylthio)-7-phenyl-2,3-dihydro-1-benzothiophene-4-carboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-7-phenyl-2,3-dihydro-1-benzothiophene-4-carboxylate Traditional Name: 5-(methylthio)-7-phenyl-2,3-dihydrobenzothiophene-4-carboxylic acid methyl ester Formula: C17H16O2S2 MolecularWeight: 316.43774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCS2)C3=CC=CC=C3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCS2)C3=CC=CC=C3)SC

InChI

InChI=1S/C17H16O2S2/c1-19-17(18)15-12-8-9-21-16(12)13(10-14(15)20-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3