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

Systemtic Name: 2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]sulfanyl]acetic acid CAS Name: 2-[[7-methoxy-4-(trifluoromethyl)-2-quinolinyl]thio]acetic acid IUPAC Name: 2-[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[7-methoxy-4-(trifluoromethyl)-2-quinolyl]thio]acetic acid Formula: C13H10F3NO3S MolecularWeight: 317.28361

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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)