methyl 2-[[5-(2-pyridin-2-ylquinolin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-[2,2,2-tris(fluoranyl)ethyl]amino]ethanoate

Systemtic Name: methyl 2-[[5-(2-pyridin-2-ylquinolin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-[2,2,2-tris(fluoranyl)ethyl]amino]ethanoate Openeye Name: methyl 2-[[5-[2-(2-pyridyl)-4-quinolyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetate CAS Name: 2-[[5-[2-(2-pyridinyl)-4-quinolinyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(2-pyridin-2-ylquinolin-4-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetate Traditional Name: 2-[[5-[2-(2-pyridyl)-4-quinolyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid methyl ester Formula: C22H18F3N5O3S MolecularWeight: 489.47023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC(F)(F)F)CN1C(=S)OC(=N1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

COC(=O)CN(CC(F)(F)F)CN1C(=S)OC(=N1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C22H18F3N5O3S/c1-32-19(31)11-29(12-22(23,24)25)13-30-21(34)33-20(28-30)15-10-18(17-8-4-5-9-26-17)27-16-7-3-2-6-14(15)16/h2-10H,11-13H2,1H3