3-[4-acetamido-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid

Systemtic Name: 3-[4-acetamido-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(4-acetamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 3-(4-acetamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(4-acetamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(4-acetamido-1,1,3-triketo-1,2-benzothiazol-2-yl)propionic acid Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC=C1)S(=O)(=O)N(C2=O)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC=C1)S(=O)(=O)N(C2=O)CCC(=O)O

InChI

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