3-[(3-methylquinoxalin-2-yl)carbothioylamino]propanoic acid

Systemtic Name: 3-[(3-methylquinoxalin-2-yl)carbothioylamino]propanoic acid Openeye Name: 3-[(3-methylquinoxaline-2-carbothioyl)amino]propanoic acid CAS Name: 3-[[(3-methyl-2-quinoxalinyl)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-[(3-methylquinoxaline-2-carbothioyl)amino]propanoic acid Traditional Name: 3-[(3-methylquinoxaline-2-carbothioyl)amino]propionic acid Formula: C13H13N3O2S MolecularWeight: 275.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C(=S)NCCC(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C(=S)NCCC(=O)O

InChI

InChI=1S/C13H13N3O2S/c1-8-12(13(19)14-7-6-11(17)18)16-10-5-3-2-4-9(10)15-8/h2-5H,6-7H2,1H3,(H,14,19)(H,17,18)