2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]acetate IUPAC Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]acetate Formula: C10H9NO2S2 MolecularWeight: 239.31396

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)SCC(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)SCC(=O)[O-]

InChI

InChI=1S/C10H9NO2S2/c1-11-7-4-2-3-5-8(7)15-10(11)14-6-9(12)13/h2-5H,6H2,1H3