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

Systemtic Name: 3-[4-benzamido-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(4-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 3-(4-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(4-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(4-benzamido-1,1,3-triketo-1,2-benzothiazol-2-yl)propionic acid Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)S(=O)(=O)N(C3=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)S(=O)(=O)N(C3=O)CCC(=O)O

InChI

InChI=1S/C17H14N2O6S/c20-14(21)9-10-19-17(23)15-12(7-4-8-13(15)26(19,24)25)18-16(22)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,22)(H,20,21)