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

Systemtic Name: (phenylmethyl) 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxidanylidene-2-phenylmethoxy-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 6-(2-benzyloxy-2-oxo-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylmethoxyethyl)thio]-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-benzoxy-2-keto-ethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C30H25ClN2O4S MolecularWeight: 545.0485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)OCC2=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)OCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H25ClN2O4S/c1-20-27(30(35)37-18-22-10-6-3-7-11-22)28(23-12-14-24(31)15-13-23)25(16-32)29(33-20)38-19-26(34)36-17-21-8-4-2-5-9-21/h2-15,28,33H,17-19H2,1H3