5-tert-butyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylic acid CAS Name: 5-tert-butyl-3-[[oxo-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-tert-butyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-2-thenoic acid Formula: C13H13F3N4O3S2 MolecularWeight: 394.39253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NC2=NN=C(S2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NC2=NN=C(S2)C(F)(F)F

InChI

InChI=1S/C13H13F3N4O3S2/c1-12(2,3)6-4-5(7(24-6)8(21)22)17-10(23)18-11-20-19-9(25-11)13(14,15)16/h4H,1-3H3,(H,21,22)(H2,17,18,20,23)