ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-(4-pyridylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-[(pyridin-4-ylthio)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-[(4-pyridylthio)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H20F3N3O2S MolecularWeight: 459.48401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CSC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CSC3=CC=NC=C3

InChI

InChI=1S/C23H20F3N3O2S/c1-3-31-22(30)21-19(13-32-15-8-10-28-11-9-15)29-14(2)17(12-27)20(21)16-6-4-5-7-18(16)23(24,25)26/h4-11,20,29H,3,13H2,1-2H3