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

Systemtic Name: methyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-10-13(16(19)20-2)14(11-7-5-4-6-8-11)12(9-17)15(18-10)21-3/h4-8,13-14H,1-3H3/t13?,14-/m0/s1