ethyl (2S,3S,4R)-4-(4-chlorophenyl)-5-cyano-6-methylsulfanyl-2-oxidanyl-2-phenyl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (2S,3S,4R)-4-(4-chlorophenyl)-5-cyano-6-methylsulfanyl-2-oxidanyl-2-phenyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (2S,3S,4R)-4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-methylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (2S,3S,4R)-4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-(methylthio)-2-phenyl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4R)-4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-methylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (2S,3S,4R)-4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-(methylthio)-2-phenyl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1(C2=CC=CC=C2)O)SC)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=C(N[C@]1(C2=CC=CC=C2)O)SC)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O3S/c1-3-28-21(26)19-18(14-9-11-16(23)12-10-14)17(13-24)20(29-2)25-22(19,27)15-7-5-4-6-8-15/h4-12,18-19,25,27H,3H2,1-2H3/t18-,19-,22-/m1/s1