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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H24ClN3O3S/c1-19-26(29(35)36-17-20-8-4-2-5-9-20)27(21-12-14-22(30)15-13-21)24(16-31)28(32-19)37-18-25(34)33-23-10-6-3-7-11-23/h2-15,27,32H,17-18H2,1H3,(H,33,34)