ethyl (4S)-5-cyano-2-methyl-4-phenyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-4-phenyl-6-(phenylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-benzylsulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-4-phenyl-6-(phenylmethylthio)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-benzylsulfanyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-(benzylthio)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CC=C2)C#N)SCC3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2O2S/c1-3-27-23(26)20-16(2)25-22(28-15-17-10-6-4-7-11-17)19(14-24)21(20)18-12-8-5-9-13-18/h4-13,21,25H,3,15H2,1-2H3/t21-/m1/s1