2-(7-oxidanyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(7-oxidanyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(7-hydroxy-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(7-hydroxy-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(7-hydroxy-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(7-hydroxy-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C11H9NO4S2 MolecularWeight: 283.32346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)SC(=N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)SC(=N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C11H9NO4S2/c13-7-3-1-2-6-9(7)18-10(12-6)5(11(15)16)4-8(14)17/h1-3,5,13H,4H2,(H,14,17)(H,15,16)