ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-phenyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C2=CC=CC=C2)SCC(=O)N)C#N)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C2=CC=CC=C2)SCC(=O)N)C#N)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H20ClN3O3S/c1-2-30-23(29)20-19(15-10-6-7-11-17(15)24)16(12-25)22(31-13-18(26)28)27-21(20)14-8-4-3-5-9-14/h3-11,19-20H,2,13H2,1H3,(H2,26,28)/t19-,20?/m1/s1