(phenylmethyl) 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: benzyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid benzyl ester Formula: C16H14NO2S+ MolecularWeight: 284.35286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C[N+]2=CSC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[N+]2=CSC3=CC=CC=C32

InChI

InChI=1S/C16H14NO2S/c18-16(19-11-13-6-2-1-3-7-13)10-17-12-20-15-9-5-4-8-14(15)17/h1-9,12H,10-11H2/q+1