prop-2-enyl (4S)-5-cyano-6-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-5-cyano-6-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-5-cyano-2-methyl-6-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-[[2-oxo-2-(N-phenylanilino)ethyl]thio]-4-phenyl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-5-cyano-2-methyl-6-[2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-[[2-keto-2-(N-phenylanilino)ethyl]thio]-2-methyl-4-phenyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C31H27N3O3S MolecularWeight: 521.62938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC=CC=C2)C#N)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC=CC=C2)C#N)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H27N3O3S/c1-3-19-37-31(36)28-22(2)33-30(26(20-32)29(28)23-13-7-4-8-14-23)38-21-27(35)34(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h3-18,28-29H,1,19,21H2,2H3/t28?,29-/m0/s1