2-[[2-(2,5-dimethoxyphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2,5-dimethoxyphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(2,5-dimethoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(2,5-dimethoxyphenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(2,5-dimethoxyphenyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(2,5-dimethoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=CC=CC=C21)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=CC=CC=C21)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H20N2O4S/c1-23(12-20(24)25)21(28)15-11-18(22-17-7-5-4-6-14(15)17)16-10-13(26-2)8-9-19(16)27-3/h4-11H,12H2,1-3H3,(H,24,25)