2-(2-acetamidoethyl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(2-acetamidoethyl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 2-(2-acetamidoethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 2-(2-acetamidoethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 2-(2-acetamidoethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 2-(2-acetamidoethyl)-1,1,3-triketo-1,2-benzothiazole-6-carboxylic acid Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)NCCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C12H12N2O6S/c1-7(15)13-4-5-14-11(16)9-3-2-8(12(17)18)6-10(9)21(14,19)20/h2-3,6H,4-5H2,1H3,(H,13,15)(H,17,18)