1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]imidazole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]imidazole-2-carboxylic acid Openeye Name: 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]imidazole-2-carboxylic acid CAS Name: 1-methyl-4-[[oxo-[2-[[4-(trifluoromethyl)phenyl]thio]ethoxy]methyl]amino]-2-imidazolecarboxylic acid IUPAC Name: 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]sulfanylethoxycarbonylamino]imidazole-2-carboxylic acid Traditional Name: 1-methyl-4-[2-[[4-(trifluoromethyl)phenyl]thio]ethoxycarbonylamino]imidazole-2-carboxylic acid Formula: C15H14F3N3O4S MolecularWeight: 389.34957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C(=O)O)NC(=O)OCCSC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CN1C=C(N=C1C(=O)O)NC(=O)OCCSC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O4S/c1-21-8-11(19-12(21)13(22)23)20-14(24)25-6-7-26-10-4-2-9(3-5-10)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,20,24)(H,22,23)