methyl 5-methylsulfanyl-4-[(phenylmethyl)carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-4-[(phenylmethyl)carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 4-(benzylcarbamoyl)-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 5-(methylthio)-4-[oxo-[(phenylmethyl)amino]methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzylcarbamoyl)-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-(benzylcarbamoyl)-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C15H15NO3S2 MolecularWeight: 321.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H15NO3S2/c1-19-14(18)12-8-11(15(20-2)21-12)13(17)16-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,17)