ethyl (4R)-5-cyano-6-methylsulfanyl-2-phenyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4R)-5-cyano-6-methylsulfanyl-2-phenyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4R)-5-cyano-6-methylsulfanyl-2-phenyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-6-(methylthio)-2-phenyl-4-(3-pyridinyl)-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-5-cyano-6-methylsulfanyl-2-phenyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-6-(methylthio)-2-phenyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C2=CC=CC=C2)SC)C#N)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C2=CC=CC=C2)SC)C#N)C3=CN=CC=C3

InChI

InChI=1S/C21H19N3O2S/c1-3-26-21(25)18-17(15-10-7-11-23-13-15)16(12-22)20(27-2)24-19(18)14-8-5-4-6-9-14/h4-11,13,17-18H,3H2,1-2H3/t17-,18?/m1/s1