2-(5-methyl-1,2-oxazol-3-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(5-methyl-1,2-oxazol-3-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 2-(5-methylisoxazol-3-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 2-(5-methyl-3-isoxazolyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 2-(5-methyl-1,2-oxazol-3-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 1,1,3-triketo-2-(5-methylisoxazol-3-yl)-1,2-benzothiazole-6-carboxylic acid Formula: C12H8N2O6S MolecularWeight: 308.26672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C12H8N2O6S/c1-6-4-10(13-20-6)14-11(15)8-3-2-7(12(16)17)5-9(8)21(14,18)19/h2-5H,1H3,(H,16,17)