(phenylmethyl) 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C29H23ClN2O3S MolecularWeight: 515.02252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H23ClN2O3S/c1-19-26(29(34)35-17-20-10-4-2-5-11-20)27(22-14-8-9-15-24(22)30)23(16-31)28(32-19)36-18-25(33)21-12-6-3-7-13-21/h2-15,27,32H,17-18H2,1H3