methyl 2-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]ethanoate

Systemtic Name: methyl 2-[2-azanyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-3-yl]ethanoate Openeye Name: methyl 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]acetate CAS Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]acetate Traditional Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]acetic acid methyl ester Formula: C11H10F3N2O3S+ MolecularWeight: 307.26891

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N

Isomeric SMILES

COC(=O)C[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N

InChI

InChI=1S/C11H9F3N2O3S/c1-18-9(17)5-16-7-3-2-6(19-11(12,13)14)4-8(7)20-10(16)15/h2-4,15H,5H2,1H3/p+1