[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C22H13N3O6S2 MolecularWeight: 479.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=CC5=NSN=C54

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H13N3O6S2/c26-19(23-15-5-3-6-16-20(15)25-32-24-16)11-31-22(28)12-8-9-14-18(10-12)33(29,30)17-7-2-1-4-13(17)21(14)27/h1-10H,11H2,(H,23,26)