2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[oxo-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Formula: C23H14N4O8S2 MolecularWeight: 538.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N)C(=O)O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=NN=C(S2)S(=O)(=O)N)C(=O)O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O

InChI

InChI=1S/C23H14N4O8S2/c24-37(33,34)23-27-26-22(36-23)25-20(30)10-1-4-13(16(7-10)21(31)32)19-14-5-2-11(28)8-17(14)35-18-9-12(29)3-6-15(18)19/h1-9,28H,(H,31,32)(H2,24,33,34)(H,25,26,30)