6-(2-azaniumylethanoylamino)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate

Systemtic Name: 6-(2-azaniumylethanoylamino)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate Openeye Name: 6-[(2-azaniumylacetyl)amino]-1,1-dioxo-1,2-benzothiazol-3-olate CAS Name: 6-[(2-ammonio-1-oxoethyl)amino]-1,1-dioxo-1,2-benzothiazol-3-olate IUPAC Name: 6-[(2-azaniumylacetyl)amino]-1,1-dioxo-1,2-benzothiazol-3-olate Traditional Name: 6-[(2-ammonioacetyl)amino]-1,1-diketo-1,2-benzothiazol-3-olate Formula: C9H9N3O4S MolecularWeight: 255.25046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C[NH3+])S(=O)(=O)N=C2[O-]

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C[NH3+])S(=O)(=O)N=C2[O-]

InChI

InChI=1S/C9H9N3O4S/c10-4-8(13)11-5-1-2-6-7(3-5)17(15,16)12-9(6)14/h1-3H,4,10H2,(H,11,13)(H,12,14)