[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C20H18F3N5O4S MolecularWeight: 481.44823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H18F3N5O4S/c1-12-15(10-26-28(12)16-5-4-13(9-25-16)20(21,22)23)18(30)32-11-17(29)27-19(31)24-7-6-14-3-2-8-33-14/h2-5,8-10H,6-7,11H2,1H3,(H2,24,27,29,31)