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

Systemtic Name: 2-[4-benzamido-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid Openeye Name: 2-(4-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid CAS Name: 2-(4-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid IUPAC Name: 2-(4-benzamido-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid Traditional Name: 2-(4-benzamido-1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid Formula: C16H12N2O6S MolecularWeight: 360.34128

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6S/c19-13(20)9-18-16(22)14-11(7-4-8-12(14)25(18,23)24)17-15(21)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,21)(H,19,20)