2-[[6-fluoranyl-2-(4-methylphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[6-fluoranyl-2-(4-methylphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[6-fluoro-2-(p-tolyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[6-fluoro-2-(4-methylphenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[6-fluoro-2-(4-methylphenyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[6-fluoro-2-(p-tolyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H17FN2O2S MolecularWeight: 368.424583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=S)N(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C20H17FN2O2S/c1-12-3-5-13(6-4-12)18-10-16(20(26)23(2)11-19(24)25)15-9-14(21)7-8-17(15)22-18/h3-10H,11H2,1-2H3,(H,24,25)