2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoic acid

Systemtic Name: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoic acid Openeye Name: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoic acid CAS Name: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)propanoic acid IUPAC Name: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanoic acid Traditional Name: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)propionic acid Formula: C11H9N3O2S2 MolecularWeight: 279.33806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C2N1C3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)O)SC1=NN=C2N1C3=CC=CC=C3S2

InChI

InChI=1S/C11H9N3O2S2/c1-6(9(15)16)17-10-12-13-11-14(10)7-4-2-3-5-8(7)18-11/h2-6H,1H3,(H,15,16)