ethyl (4S)-4-(2-chlorophenyl)-5-cyano-6-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-4-(2-chlorophenyl)-5-cyano-6-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-4-(2-chlorophenyl)-5-cyano-6-(2-isopropoxy-2-oxo-ethyl)sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-propan-2-yloxyethyl)thio]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-chlorophenyl)-5-cyano-6-(2-oxo-2-propan-2-yloxyethyl)sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-5-cyano-6-[(2-isopropoxy-2-keto-ethyl)thio]-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)OC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CC=C2Cl)C#N)SCC(=O)OC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H25ClN2O4S/c1-4-32-26(31)23-22(18-12-8-9-13-20(18)27)19(14-28)25(34-15-21(30)33-16(2)3)29-24(23)17-10-6-5-7-11-17/h5-13,16,22,29H,4,15H2,1-3H3/t22-/m1/s1