ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-(ethylthio)-2-phenyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-ethylsulfanyl-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-(ethylthio)-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC)C3=CC=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/h5-12,14,18,25H,3-4H2,1-2H3