diethyl 3-methyl-5-[[5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[5-(2-thienyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-[5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[5-(2-thienyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H18F3N5O5S2 MolecularWeight: 553.53403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(=CC(=NC3=N2)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(=CC(=NC3=N2)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C22H18F3N5O5S2/c1-4-34-19(32)14-10(3)15(20(33)35-5-2)37-18(14)28-17(31)16-27-21-26-11(12-7-6-8-36-12)9-13(22(23,24)25)30(21)29-16/h6-9H,4-5H2,1-3H3,(H,28,31)