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

Systemtic Name: 2-(oxan-2-yloxymethyl)-5-[4-[7-(trifluoromethyl)quinolin-4-yl]sulfanylbutoxy]pyran-4-one Openeye Name: 2-(tetrahydropyran-2-yloxymethyl)-5-[4-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]butoxy]pyran-4-one CAS Name: 2-(2-oxanyloxymethyl)-5-[4-[[7-(trifluoromethyl)-4-quinolinyl]thio]butoxy]-4-pyranone IUPAC Name: 2-(oxan-2-yloxymethyl)-5-[4-[7-(trifluoromethyl)quinolin-4-yl]sulfanylbutoxy]pyran-4-one Traditional Name: 2-(tetrahydropyran-2-yloxymethyl)-5-[4-[[7-(trifluoromethyl)-4-quinolyl]thio]butoxy]pyran-4-one Formula: C25H26F3NO5S MolecularWeight: 509.53785

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C25H26F3NO5S/c26-25(27,28)17-6-7-19-20(13-17)29-9-8-23(19)35-12-4-3-10-31-22-16-33-18(14-21(22)30)15-34-24-5-1-2-11-32-24/h6-9,13-14,16,24H,1-5,10-12,15H2