ethyl (4S)-5-cyano-6-methylsulfanyl-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-6-methylsulfanyl-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-6-methylsulfanyl-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-(methylthio)-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-6-methylsulfanyl-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-(methylthio)-2-(4-nitrophenyl)-4-phenyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C2=CC=C(C=C2)[N+](=O)[O-])SC)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(N=C1C2=CC=C(C=C2)[N+](=O)[O-])SC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c1-3-29-22(26)19-18(14-7-5-4-6-8-14)17(13-23)21(30-2)24-20(19)15-9-11-16(12-10-15)25(27)28/h4-12,18-19H,3H2,1-2H3/t18-,19?/m0/s1