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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)S

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)S

InChI

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