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CHEBI:114301 - 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester

ChEBI IDCHEBI:114301
ChEBI Name2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester
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DownloadsMolfile
FormulaC20H20F3N3O4S
Net Charge0
Average Mass455.458
Monoisotopic Mass455.11266
SMILESCSc1ncccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H20F3N3O4S/c1-31-18-14(3-2-6-24-18)19(28)30-12-17(27)25-15-11-13(20(21,22)23)4-5-16(15)26-7-9-29-10-8-26/h2-6,11H,7-10,12H2,1H3,(H,25,27)
InChIKeyYXUGALMTAJORPL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester (CHEBI:114301) is a morpholines (CHEBI:38785)
Manual XrefsDatabases
LSM-25761LINCS