butyl 3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxylate

Systemtic Name: butyl 3-oxidanidyl-1,3-benzothiazol-3-ium-2-carboxylate Openeye Name: butyl 3-oxido-1,3-benzothiazol-3-ium-2-carboxylate CAS Name: 3-oxido-1,3-benzothiazol-3-ium-2-carboxylic acid butyl ester IUPAC Name: butyl 3-oxido-1,3-benzothiazol-3-ium-2-carboxylate Traditional Name: 3-oxido-1,3-benzothiazol-3-ium-2-carboxylic acid butyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=[N+](C2=CC=CC=C2S1)[O-]

Isomeric SMILES

CCCCOC(=O)C1=[N+](C2=CC=CC=C2S1)[O-]

InChI

InChI=1S/C12H13NO3S/c1-2-3-8-16-12(14)11-13(15)9-6-4-5-7-10(9)17-11/h4-7H,2-3,8H2,1H3