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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C#N)SCC(=O)C3=CC=CC=C3

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/h5-13,22-23H,15H2,1-4H3/t22?,23-/m0/s1