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

Systemtic Name: ethyl (3R,4R)-4-(2-chlorophenyl)-5-cyano-2-methyl-2-oxidanyl-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (3R,4R)-4-(2-chlorophenyl)-5-cyano-2-hydroxy-2-methyl-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R,4R)-4-(2-chlorophenyl)-5-cyano-2-hydroxy-6-mercapto-2-methyl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-4-(2-chlorophenyl)-5-cyano-2-hydroxy-2-methyl-6-sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R,4R)-4-(2-chlorophenyl)-5-cyano-2-hydroxy-6-mercapto-2-methyl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O3S/c1-3-22-15(20)13-12(9-6-4-5-7-11(9)17)10(8-18)14(23)19-16(13,2)21/h4-7,12-13,19,21,23H,3H2,1-2H3/t12-,13-,16?/m0/s1