2-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-yl)ethanoate

Systemtic Name: 2-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-yl)ethanoate Openeye Name: 2-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-yl)acetate CAS Name: 2-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-yl)acetate IUPAC Name: 2-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-yl)acetate Traditional Name: 2-(3-ethyl-2-methyl-1,3-benzothiazol-3-ium-5-yl)acetate Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)CC(=O)[O-])C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)CC(=O)[O-])C

InChI

InChI=1S/C12H13NO2S/c1-3-13-8(2)16-11-5-4-9(6-10(11)13)7-12(14)15/h4-6H,3,7H2,1-2H3