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

Systemtic Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(phenacylthio)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C26H25ClN2O3S MolecularWeight: 481.0063

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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=C(C=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H25ClN2O3S/c1-16-22(25(31)32-26(2,3)4)23(18-10-12-19(27)13-11-18)20(14-28)24(29-16)33-15-21(30)17-8-6-5-7-9-17/h5-13,23,29H,15H2,1-4H3/t23-/m1/s1