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CHEBI:107461 - 2-thiophenecarboxylic acid [3-[[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl] ester

ChEBI IDCHEBI:107461
ChEBI Name2-thiophenecarboxylic acid [3-[[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl] ester
Stars
DownloadsMolfile
FormulaC21H12ClFN2O4S
Net Charge0
Average Mass442.855
Monoisotopic Mass442.01903
SMILESO=C1NN(c2ccc(F)c(Cl)c2)C(=O)C1=Cc1cccc(OC(=O)c2cccs2)c1
InChIInChI=1S/C21H12ClFN2O4S/c22-16-11-13(6-7-17(16)23)25-20(27)15(19(26)24-25)10-12-3-1-4-14(9-12)29-21(28)18-5-2-8-30-18/h1-11H,(H,24,26)
InChIKeyJNUIQGKVFFMDLX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-thiophenecarboxylic acid [3-[[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl] ester (CHEBI:107461) is a benzoate ester (CHEBI:36054)
2-thiophenecarboxylic acid [3-[[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl] ester (CHEBI:107461) is a phenols (CHEBI:33853)
Manual XrefsDatabases
LSM-18816LINCS