2-(1,3-benzothiazol-3-ium-3-yl)ethanoate

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetate IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetate Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)[O-]

InChI

InChI=1S/C9H7NO2S/c11-9(12)5-10-6-13-8-4-2-1-3-7(8)10/h1-4,6H,5H2