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

Systemtic Name: methyl 2-oxidanyl-5-[[6-(trifluoromethyloxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoate Openeye Name: methyl 2-hydroxy-5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoate CAS Name: 2-hydroxy-5-[[oxo-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoate Traditional Name: 2-hydroxy-5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoylamino]benzoic acid methyl ester Formula: C17H12F3N3O5S MolecularWeight: 427.35449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O5S/c1-27-14(25)10-6-8(2-5-12(10)24)21-15(26)23-16-22-11-4-3-9(7-13(11)29-16)28-17(18,19)20/h2-7,24H,1H3,(H2,21,22,23,26)