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

Systemtic Name: methyl (3S,4S)-4-(2-chlorophenyl)-6-(cyanomethylsulfanyl)-5-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3S,4S)-4-(2-chlorophenyl)-6-(cyanomethylsulfanyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4S)-4-(2-chlorophenyl)-6-(cyanomethylthio)-5-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-4-(2-chlorophenyl)-6-(cyanomethylsulfanyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4S)-4-(2-chlorophenyl)-6-(cyanomethylthio)-2-keto-5-methyl-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(C1C2=CC=CC=C2Cl)C(=O)OC)SCC#N

Isomeric SMILES

CC1=C(NC(=O)[C@H]([C@@H]1C2=CC=CC=C2Cl)C(=O)OC)SCC#N

InChI

InChI=1S/C16H15ClN2O3S/c1-9-12(10-5-3-4-6-11(10)17)13(16(21)22-2)14(20)19-15(9)23-8-7-18/h3-6,12-13H,8H2,1-2H3,(H,19,20)/t12-,13-/m0/s1