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

Systemtic Name: 3-[3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoylamino]benzoate Openeye Name: 3-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate CAS Name: 3-[[1-oxo-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]amino]benzoate IUPAC Name: 3-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate Traditional Name: 3-[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=CC(=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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