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

Systemtic Name: ethyl (4R)-5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4R)-5-cyano-6-ethylsulfanyl-2-phenyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-5-cyano-6-(ethylthio)-2-phenyl-4-(3-pyridinyl)-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-3-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-5-cyano-6-(ethylthio)-2-phenyl-4-(3-pyridyl)-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-3-27-22(26)19-18(16-11-8-12-24-14-16)17(13-23)21(28-4-2)25-20(19)15-9-6-5-7-10-15/h5-12,14,18-19H,3-4H2,1-2H3/t18-,19?/m1/s1