[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C23H15NO8S MolecularWeight: 465.4321

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C23H15NO8S/c25-21(24-14-6-8-17-18(10-14)32-12-31-17)11-30-23(27)13-5-7-16-20(9-13)33(28,29)19-4-2-1-3-15(19)22(16)26/h1-10H,11-12H2,(H,24,25)