prop-2-enyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)Cl)C(=O)OCC=C

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SC)C#N)C2=CC=C(C=C2)Cl)C(=O)OCC=C

InChI

InChI=1S/C18H17ClN2O2S/c1-4-9-23-18(22)15-11(2)21-17(24-3)14(10-20)16(15)12-5-7-13(19)8-6-12/h4-8,16,21H,1,9H2,2-3H3/t16-/m1/s1