2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylethanoate Openeye Name: 2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]sulfanyl]acetate CAS Name: 2-[[7-methoxy-4-(trifluoromethyl)-2-quinolinyl]thio]acetate IUPAC Name: 2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]thio]acetate Formula: C13H9F3NO3S- MolecularWeight: 316.27567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H10F3NO3S/c1-20-7-2-3-8-9(13(14,15)16)5-11(17-10(8)4-7)21-6-12(18)19/h2-5H,6H2,1H3,(H,18,19)/p-1