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

Systemtic Name: methyl (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-oxidanylidene-6-propylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-oxo-6-(propylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-oxo-6-propylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-keto-6-(propylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2Cl)C#N

Isomeric SMILES

CCCSC1=C([C@@H]([C@@H](C(=O)N1)C(=O)OC)C2=CC=CC=C2Cl)C#N

InChI

InChI=1S/C17H17ClN2O3S/c1-3-8-24-16-11(9-19)13(10-6-4-5-7-12(10)18)14(15(21)20-16)17(22)23-2/h4-7,13-14H,3,8H2,1-2H3,(H,20,21)/t13-,14-/m0/s1