methyl 4-(2-chlorophenyl)-5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-(benzylthio)-4-(2-chlorophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-27-21(26)18-17(14-9-5-6-10-16(14)22)15(11-23)20(24-19(18)25)28-12-13-7-3-2-4-8-13/h2-10,17-18H,12H2,1H3,(H,24,25)