2-(oxan-2-yloxymethyl)-5-[2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethoxy]pyran-4-one

Systemtic Name: 2-(oxan-2-yloxymethyl)-5-[2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethoxy]pyran-4-one Openeye Name: 2-(tetrahydropyran-2-yloxymethyl)-5-[2-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]ethoxy]pyran-4-one CAS Name: 2-(2-oxanyloxymethyl)-5-[2-[[7-(trifluoromethyl)-4-quinolinyl]thio]ethoxy]-4-pyranone IUPAC Name: 2-(oxan-2-yloxymethyl)-5-[2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethoxy]pyran-4-one Traditional Name: 2-(tetrahydropyran-2-yloxymethyl)-5-[2-[[7-(trifluoromethyl)-4-quinolyl]thio]ethoxy]pyran-4-one Formula: C23H22F3NO5S MolecularWeight: 481.48469

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C23H22F3NO5S/c24-23(25,26)15-4-5-17-18(11-15)27-7-6-21(17)33-10-9-29-20-14-31-16(12-19(20)28)13-32-22-3-1-2-8-30-22/h4-7,11-12,14,22H,1-3,8-10,13H2