ethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2-methyl-6-(methylthio)-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-2-methyl-6-(methylthio)-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CC=C2)C#N)SC)C

InChI

InChI=1S/C17H18N2O2S/c1-4-21-17(20)14-11(2)19-16(22-3)13(10-18)15(14)12-8-6-5-7-9-12/h5-9,15,19H,4H2,1-3H3/t15-/m1/s1