2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethanethioic S-acid

Systemtic Name: 2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethanethioic S-acid Openeye Name: 2-(6-hydroxy-1,3-benzothiazol-2-yl)ethanethioic S-acid CAS Name: 2-(6-hydroxy-1,3-benzothiazol-2-yl)ethanethioic S-acid IUPAC Name: 2-(6-hydroxy-1,3-benzothiazol-2-yl)ethanethioic S-acid Traditional Name: 2-(6-hydroxy-1,3-benzothiazol-2-yl)thioacetic acid Formula: C9H7NO2S2 MolecularWeight: 225.28738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)SC(=N2)CC(=O)S

Isomeric SMILES

C1=CC2=C(C=C1O)SC(=N2)CC(=O)S

InChI

InChI=1S/C9H7NO2S2/c11-5-1-2-6-7(3-5)14-8(10-6)4-9(12)13/h1-3,11H,4H2,(H,12,13)