4-[3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoylamino]benzoate

Systemtic Name: 4-[3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoylamino]benzoate Openeye Name: 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]amino]benzoate IUPAC Name: 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propanoylamino]benzoate Formula: C17H13N2O6S- MolecularWeight: 373.35992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

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