2-[[2-(3-methoxyphenyl)quinolin-4-yl]carbothioylamino]ethanoic acid

Systemtic Name: 2-[[2-(3-methoxyphenyl)quinolin-4-yl]carbothioylamino]ethanoic acid Openeye Name: 2-[[2-(3-methoxyphenyl)quinoline-4-carbothioyl]amino]acetic acid CAS Name: 2-[[[2-(3-methoxyphenyl)-4-quinolinyl]-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[[2-(3-methoxyphenyl)quinoline-4-carbothioyl]amino]acetic acid Traditional Name: 2-[[2-(3-methoxyphenyl)quinoline-4-carbothioyl]amino]acetic acid Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=S)NCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=S)NCC(=O)O

InChI

InChI=1S/C19H16N2O3S/c1-24-13-6-4-5-12(9-13)17-10-15(19(25)20-11-18(22)23)14-7-2-3-8-16(14)21-17/h2-10H,11H2,1H3,(H,20,25)(H,22,23)