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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@@H]1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-27-21(26)18-17(14-7-9-15(22)10-8-14)16(11-23)20(24-19(18)25)28-12-13-5-3-2-4-6-13/h2-10,17-18H,12H2,1H3,(H,24,25)/t17?,18-/m1/s1