2-[[2-(2-fluorophenyl)-7-methoxy-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2-fluorophenyl)-7-methoxy-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(2-fluorophenyl)-7-methoxy-quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(2-fluorophenyl)-7-methoxy-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(2-fluorophenyl)-7-methoxyquinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(2-fluorophenyl)-7-methoxy-quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC(=C2)OC)C3=CC=CC=C3F

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=CC(=C2)OC)C3=CC=CC=C3F

InChI

InChI=1S/C20H17FN2O3S/c1-23(11-19(24)25)20(27)15-10-18(14-5-3-4-6-16(14)21)22-17-9-12(26-2)7-8-13(15)17/h3-10H,11H2,1-2H3,(H,24,25)