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

Systemtic Name: ethyl (4R)-3-cyano-6-phenyl-2-propylsulfanyl-4-pyridin-3-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl (4R)-3-cyano-6-phenyl-2-propylsulfanyl-4-(3-pyridyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (4R)-3-cyano-6-phenyl-2-(propylthio)-4-(3-pyridinyl)-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-3-cyano-6-phenyl-2-propylsulfanyl-4-pyridin-3-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4R)-3-cyano-6-phenyl-2-(propylthio)-4-(3-pyridyl)-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(C1C#N)C2=CN=CC=C2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=NC(=C([C@H](C1C#N)C2=CN=CC=C2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O2S/c1-3-13-29-22-18(14-24)19(17-11-8-12-25-15-17)20(23(27)28-4-2)21(26-22)16-9-6-5-7-10-16/h5-12,15,18-19H,3-4,13H2,1-2H3/t18?,19-/m0/s1