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

Systemtic Name: 3-[6-benzamido-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(6-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 3-(6-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(6-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(6-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=CC3=C(C=C2)C(=O)N(S3(=O)=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(S3(=O)=O)CCC(=O)O

InChI

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