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

Systemtic Name: (phenylmethyl) 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: benzyl 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)acetic acid benzyl ester Formula: C16H15N2O2S+ MolecularWeight: 299.3675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S/c17-16-18(13-8-4-5-9-14(13)21-16)10-15(19)20-11-12-6-2-1-3-7-12/h1-9,17H,10-11H2/p+1