2-[(8-chloranylquinolin-5-yl)carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(8-chloranylquinolin-5-yl)carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(8-chloroquinoline-5-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(8-chloro-5-quinolinyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(8-chloroquinoline-5-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(8-chloroquinoline-5-carbothioyl)-methyl-amino]acetic acid Formula: C13H11ClN2O2S MolecularWeight: 294.75664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=C2C=CC=NC2=C(C=C1)Cl

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=C2C=CC=NC2=C(C=C1)Cl

InChI

InChI=1S/C13H11ClN2O2S/c1-16(7-11(17)18)13(19)9-4-5-10(14)12-8(9)3-2-6-15-12/h2-6H,7H2,1H3,(H,17,18)