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

Systemtic Name: methyl (3S,4R)-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3S,4R)-6-benzylsulfanyl-5-cyano-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4R)-5-cyano-4-(4-methylphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-6-benzylsulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4R)-6-(benzylthio)-5-cyano-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20N2O3S/c1-14-8-10-16(11-9-14)18-17(12-23)21(24-20(25)19(18)22(26)27-2)28-13-15-6-4-3-5-7-15/h3-11,18-19H,13H2,1-2H3,(H,24,25)/t18-,19+/m1/s1