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

Systemtic Name: methyl (3R)-5-cyano-4-(4-methylphenyl)-6-methylsulfanyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R)-5-cyano-6-methylsulfanyl-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R)-5-cyano-4-(4-methylphenyl)-6-(methylthio)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-5-cyano-4-(4-methylphenyl)-6-methylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R)-5-cyano-2-keto-6-(methylthio)-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2[C@H](C(=O)NC(=C2C#N)SC)C(=O)OC

InChI

InChI=1S/C16H16N2O3S/c1-9-4-6-10(7-5-9)12-11(8-17)15(22-3)18-14(19)13(12)16(20)21-2/h4-7,12-13H,1-3H3,(H,18,19)/t12?,13-/m1/s1