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

Systemtic Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)thio]acetate IUPAC Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)thio]acetate Formula: C11H11NO2S2 MolecularWeight: 253.34054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2S2/c1-2-12-8-5-3-4-6-9(8)16-11(12)15-7-10(13)14/h3-6H,2,7H2,1H3