[(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate

Systemtic Name: [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate Openeye Name: [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate CAS Name: benzoic acid [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] ester IUPAC Name: [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-methylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate Traditional Name: benzoic acid [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-(methylthio)-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] ester Formula: C26H21ClN2O2S MolecularWeight: 460.97514

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(CC(N1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

CSC1=C([C@@H](C[C@@](N1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C26H21ClN2O2S/c1-32-24-22(17-28)21(20-14-8-9-15-23(20)27)16-26(29-24,19-12-6-3-7-13-19)31-25(30)18-10-4-2-5-11-18/h2-15,21,29H,16H2,1H3/t21-,26-/m0/s1