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

Systemtic Name: 2-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylamino]benzoate Openeye Name: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoate CAS Name: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoate IUPAC Name: 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoate Traditional Name: 2-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methylamino]benzoate Formula: C15H11N2O5S- MolecularWeight: 331.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CNC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CNC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C15H12N2O5S/c18-14-11-6-2-4-8-13(11)23(21,22)17(14)9-16-12-7-3-1-5-10(12)15(19)20/h1-8,16H,9H2,(H,19,20)/p-1