2-(1-azanyl-1-oxidanylidene-propan-2-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(1-azanyl-1-oxidanylidene-propan-2-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 2-(2-amino-1-methyl-2-oxo-ethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 2-(1-amino-1-oxopropan-2-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 2-(1-amino-1-oxopropan-2-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 2-(2-amino-2-keto-1-methyl-ethyl)-1,1,3-triketo-1,2-benzothiazole-6-carboxylic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C11H10N2O6S/c1-5(9(12)14)13-10(15)7-3-2-6(11(16)17)4-8(7)20(13,18)19/h2-5H,1H3,(H2,12,14)(H,16,17)