ethyl (2R,3R,4R)-5-cyano-2-methyl-6-[(4-methylphenyl)methylsulfanyl]-2-oxidanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (2R,3R,4R)-5-cyano-2-methyl-6-[(4-methylphenyl)methylsulfanyl]-2-oxidanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (2R,3R,4R)-5-cyano-2-hydroxy-2-methyl-6-(p-tolylmethylsulfanyl)-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (2R,3R,4R)-5-cyano-2-hydroxy-2-methyl-6-[(4-methylphenyl)methylthio]-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4R)-5-cyano-2-hydroxy-2-methyl-6-[(4-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (2R,3R,4R)-5-cyano-2-hydroxy-2-methyl-6-[(4-methylbenzyl)thio]-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1(C)O)SCC2=CC=C(C=C2)C)C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=C(N[C@]1(C)O)SCC2=CC=C(C=C2)C)C#N)C3=CC=CS3

InChI

InChI=1S/C22H24N2O3S2/c1-4-27-21(25)19-18(17-6-5-11-28-17)16(12-23)20(24-22(19,3)26)29-13-15-9-7-14(2)8-10-15/h5-11,18-19,24,26H,4,13H2,1-3H3/t18-,19+,22-/m1/s1