(1-oxidanylbenzotriazol-1-ium-1-yl) (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoate

Systemtic Name: (1-oxidanylbenzotriazol-1-ium-1-yl) (2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoate Openeye Name: (1-hydroxybenzotriazol-1-ium-1-yl) (2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetate CAS Name: (2E)-2-(2-amino-4-thiazolyl)-2-methoxyiminoacetic acid (1-hydroxy-1-benzotriazol-1-iumyl) ester IUPAC Name: (1-hydroxybenzotriazol-1-ium-1-yl) (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate Traditional Name: (2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetic acid (1-hydroxybenzotriazol-1-ium-1-yl) ester Formula: C12H11N6O4S+ MolecularWeight: 335.31854

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)O[N+]2(C3=CC=CC=C3N=N2)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)O[N+]2(C3=CC=CC=C3N=N2)O

InChI

InChI=1S/C12H11N6O4S/c1-21-16-10(8-6-23-12(13)14-8)11(19)22-18(20)9-5-3-2-4-7(9)15-17-18/h2-6,20H,1H3,(H2,13,14)/q+1/b16-10+