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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H23ClN2O3S/c1-2-35-29(34)26-25(21-15-9-10-16-23(21)30)22(17-31)28(32-27(26)20-13-7-4-8-14-20)36-18-24(33)19-11-5-3-6-12-19/h3-16,25,32H,2,18H2,1H3