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

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-cyano-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-(2-anilino-2-oxo-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-anilino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-anilino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-anilino-2-keto-ethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C29H24ClN3O3S MolecularWeight: 530.03716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C#N)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H24ClN3O3S/c1-2-36-29(35)26-25(19-13-15-21(30)16-14-19)23(17-31)28(33-27(26)20-9-5-3-6-10-20)37-18-24(34)32-22-11-7-4-8-12-22/h3-16,25,33H,2,18H2,1H3,(H,32,34)