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

Systemtic Name: ethyl 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C11H13N2O2S+ MolecularWeight: 237.29812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(SC2=CC=CC=C21)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(SC2=CC=CC=C21)N

InChI

InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-13-8-5-3-4-6-9(8)16-11(13)12/h3-6,12H,2,7H2,1H3/p+1