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

Systemtic Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(naphthalen-1-ylmethylsulfanyl)-3,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(1-naphthylmethylsulfanyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(1-naphthalenylmethylthio)-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(naphthalen-1-ylmethylsulfanyl)-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(1-naphthylmethylthio)-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C29H27ClN2O2S MolecularWeight: 503.05488

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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)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C#N)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H27ClN2O2S/c1-18-25(28(33)34-29(2,3)4)26(20-12-14-22(30)15-13-20)24(16-31)27(32-18)35-17-21-10-7-9-19-8-5-6-11-23(19)21/h5-15,25-26H,17H2,1-4H3/t25?,26-/m0/s1