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

Systemtic Name: [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate Openeye Name: [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate CAS Name: benzoic acid [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-(ethylthio)-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] ester IUPAC Name: [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] benzoate Traditional Name: benzoic acid [(2S,4R)-4-(2-chlorophenyl)-5-cyano-6-(ethylthio)-2-phenyl-3,4-dihydro-1H-pyridin-2-yl] ester Formula: C27H23ClN2O2S MolecularWeight: 475.00172

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(CC(N1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

CCSC1=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/C27H23ClN2O2S/c1-2-33-25-23(18-29)22(21-15-9-10-16-24(21)28)17-27(30-25,20-13-7-4-8-14-20)32-26(31)19-11-5-3-6-12-19/h3-16,22,30H,2,17H2,1H3/t22-,27-/m0/s1