2-(6-fluoranyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-fluoranyl-2-methyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(6-fluoro-2-methyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6-fluoro-2-methyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(6-fluoro-2-methylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-fluoro-2-methyl-4-quinolyl)thio]acetic acid Formula: C12H10FNO2S MolecularWeight: 251.276703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)F)C(=C1)SCC(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)F)C(=C1)SCC(=O)O

InChI

InChI=1S/C12H10FNO2S/c1-7-4-11(17-6-12(15)16)9-5-8(13)2-3-10(9)14-7/h2-5H,6H2,1H3,(H,15,16)