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

Systemtic Name: 2-(oxan-2-yloxymethyl)-5-[7-[7-(trifluoromethyl)quinolin-4-yl]sulfanylheptoxy]pyran-4-one Openeye Name: 2-(tetrahydropyran-2-yloxymethyl)-5-[7-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]heptoxy]pyran-4-one CAS Name: 2-(2-oxanyloxymethyl)-5-[7-[[7-(trifluoromethyl)-4-quinolinyl]thio]heptoxy]-4-pyranone IUPAC Name: 2-(oxan-2-yloxymethyl)-5-[7-[7-(trifluoromethyl)quinolin-4-yl]sulfanylheptoxy]pyran-4-one Traditional Name: 2-(tetrahydropyran-2-yloxymethyl)-5-[7-[[7-(trifluoromethyl)-4-quinolyl]thio]heptoxy]pyran-4-one Formula: C28H32F3NO5S MolecularWeight: 551.61759

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C28H32F3NO5S/c29-28(30,31)20-9-10-22-23(16-20)32-12-11-26(22)38-15-7-3-1-2-5-13-34-25-19-36-21(17-24(25)33)18-37-27-8-4-6-14-35-27/h9-12,16-17,19,27H,1-8,13-15,18H2