2-cyanoethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-(methylthio)-4-phenyl-3,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-6-(methylthio)-4-phenyl-3,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCCC#N)C2=CC=CC=C2)C#N)SC

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCCC#N)C2=CC=CC=C2)C#N)SC

InChI

InChI=1S/C18H17N3O2S/c1-12-15(18(22)23-10-6-9-19)16(13-7-4-3-5-8-13)14(11-20)17(21-12)24-2/h3-5,7-8,15-16H,6,10H2,1-2H3/t15?,16-/m0/s1