[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-8-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-8-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-8-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-8-quinolinyl] ester IUPAC Name: [2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)quinolin-8-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(4-tert-butyl-2-oxazolin-2-yl)-8-quinolyl] ester Formula: C17H17F3N2O4S MolecularWeight: 402.38809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1COC(=N1)C2=NC3=C(C=CC=C3OS(=O)(=O)C(F)(F)F)C=C2

Isomeric SMILES

CC(C)(C)C1COC(=N1)C2=NC3=C(C=CC=C3OS(=O)(=O)C(F)(F)F)C=C2

InChI

InChI=1S/C17H17F3N2O4S/c1-16(2,3)13-9-25-15(22-13)11-8-7-10-5-4-6-12(14(10)21-11)26-27(23,24)17(18,19)20/h4-8,13H,9H2,1-3H3