2-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[(6,8-difluoro-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6,8-difluoro-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(6,8-difluoro-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6,8-difluoro-2-methyl-4-quinolyl)thio]acetic acid Formula: C12H9F2NO2S MolecularWeight: 269.267166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2C(=C1)SCC(=O)O)F)F

Isomeric SMILES

CC1=NC2=C(C=C(C=C2C(=C1)SCC(=O)O)F)F

InChI

InChI=1S/C12H9F2NO2S/c1-6-2-10(18-5-11(16)17)8-3-7(13)4-9(14)12(8)15-6/h2-4H,5H2,1H3,(H,16,17)