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

Systemtic Name: 2-[[6-chloranyl-2-(4-methoxyphenyl)quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[6-chloro-2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[6-chloro-2-(4-methoxyphenyl)-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[6-chloro-2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[6-chloro-2-(4-methoxyphenyl)quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O3S/c1-23(11-19(24)25)20(27)16-10-18(12-3-6-14(26-2)7-4-12)22-17-8-5-13(21)9-15(16)17/h3-10H,11H2,1-2H3,(H,24,25)