(phenylmethyl) 2-azanyl-1,3-benzothiazol-3-ium-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-1,3-benzothiazol-3-ium-3-carboxylate Openeye Name: benzyl 2-amino-1,3-benzothiazol-3-ium-3-carboxylate CAS Name: 2-amino-1,3-benzothiazol-3-ium-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1,3-benzothiazol-3-ium-3-carboxylate Traditional Name: 2-amino-1,3-benzothiazol-3-ium-3-carboxylic acid benzyl ester Formula: C15H13N2O2S+ MolecularWeight: 285.34092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)[N+]2=C(SC3=CC=CC=C32)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[N+]2=C(SC3=CC=CC=C32)N

InChI

InChI=1S/C15H12N2O2S/c16-14-17(12-8-4-5-9-13(12)20-14)15(18)19-10-11-6-2-1-3-7-11/h1-9,16H,10H2/p+1