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

Systemtic Name: 2-(oxan-2-yloxymethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Openeye Name: 2-(tetrahydropyran-2-yloxymethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]pentoxy]pyran-4-one CAS Name: 2-(2-oxanyloxymethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolinyl]thio]pentoxy]-4-pyranone IUPAC Name: 2-(oxan-2-yloxymethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Traditional Name: 2-(tetrahydropyran-2-yloxymethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]thio]pentoxy]pyran-4-one Formula: C26H28F3NO5S MolecularWeight: 523.56443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C26H28F3NO5S/c27-26(28,29)18-7-8-20-21(14-18)30-10-9-24(20)36-13-5-1-3-11-32-23-17-34-19(15-22(23)31)16-35-25-6-2-4-12-33-25/h7-10,14-15,17,25H,1-6,11-13,16H2