2-oxidanyl-5-[[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[oxo-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoic acid Formula: C16H10F3N3O5S MolecularWeight: 413.32791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)C(=O)O)O

InChI

InChI=1S/C16H10F3N3O5S/c17-16(18,19)27-8-2-3-10-12(6-8)28-15(21-10)22-14(26)20-7-1-4-11(23)9(5-7)13(24)25/h1-6,23H,(H,24,25)(H2,20,21,22,26)