5-propan-2-yloxy-2-(pyridin-4-ylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate

Systemtic Name: 5-propan-2-yloxy-2-(pyridin-4-ylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate Openeye Name: 5-isopropoxy-2-(4-pyridylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate CAS Name: 5-propan-2-yloxy-2-[(pyridin-4-ylthio)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate IUPAC Name: 5-propan-2-yloxy-2-(pyridin-4-ylsulfanylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate Traditional Name: 5-isopropoxy-2-[(4-pyridylthio)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate Formula: C25H21F3N3O3S- MolecularWeight: 500.51275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=CC2=C1C(C(=C(N2)CSC3=CC=NC=C3)C(=O)[O-])C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC(C)OC1=NC=CC2=C1C(C(=C(N2)CSC3=CC=NC=C3)C(=O)[O-])C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H22F3N3O3S/c1-14(2)34-23-21-18(9-12-30-23)31-19(13-35-15-7-10-29-11-8-15)22(24(32)33)20(21)16-5-3-4-6-17(16)25(26,27)28/h3-12,14,20,31H,13H2,1-2H3,(H,32,33)/p-1