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

Systemtic Name: 2-(dimethoxymethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Openeye Name: 2-(dimethoxymethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]pentoxy]pyran-4-one CAS Name: 2-(dimethoxymethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolinyl]thio]pentoxy]-4-pyranone IUPAC Name: 2-(dimethoxymethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Traditional Name: 2-(dimethoxymethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]thio]pentoxy]pyran-4-one Formula: C23H24F3NO5S MolecularWeight: 483.50057

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC(=O)C(=CO1)OCCCCCSC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)OC

Isomeric SMILES

COC(C1=CC(=O)C(=CO1)OCCCCCSC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)OC

InChI

InChI=1S/C23H24F3NO5S/c1-29-22(30-2)19-13-18(28)20(14-32-19)31-10-4-3-5-11-33-21-8-9-27-17-12-15(23(24,25)26)6-7-16(17)21/h6-9,12-14,22H,3-5,10-11H2,1-2H3