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

Systemtic Name: ethyl (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-oxidanylidene-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4R)-4-(2-chlorophenyl)-5-cyano-6-mercapto-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4R)-4-(2-chlorophenyl)-5-cyano-2-keto-6-mercapto-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1=O)S)C#N)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](C(=C(NC1=O)S)C#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C15H13ClN2O3S/c1-2-21-15(20)12-11(8-5-3-4-6-10(8)16)9(7-17)14(22)18-13(12)19/h3-6,11-12,22H,2H2,1H3,(H,18,19)/t11-,12-/m0/s1