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

Systemtic Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-5-cyano-6-(ethylthio)-2-methyl-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(4-chlorophenyl)-5-cyano-6-ethylsulfanyl-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-5-cyano-6-(ethylthio)-2-methyl-3,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C(C(=N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CCSC1=C([C@@H](C(C(=N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C20H23ClN2O2S/c1-6-26-18-15(11-22)17(13-7-9-14(21)10-8-13)16(12(2)23-18)19(24)25-20(3,4)5/h7-10,16-17H,6H2,1-5H3/t16?,17-/m0/s1