3-[6-acetamido-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid

Systemtic Name: 3-[6-acetamido-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(6-acetamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 3-(6-acetamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(6-acetamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(6-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=CC2=C(C=C1)C(=O)N(S2(=O)=O)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=O)N(S2(=O)=O)CCC(=O)O

InChI

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