2-[[6-bromanyl-2-(2-methoxyphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[6-bromanyl-2-(2-methoxyphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[6-bromo-2-(2-methoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[6-bromo-2-(2-methoxyphenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[6-bromo-2-(2-methoxyphenyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[6-bromo-2-(2-methoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3OC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3OC

InChI

InChI=1S/C20H17BrN2O3S/c1-23(11-19(24)25)20(27)15-10-17(13-5-3-4-6-18(13)26-2)22-16-8-7-12(21)9-14(15)16/h3-10H,11H2,1-2H3,(H,24,25)