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

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ChEBI Name 2-thiophenecarboxylic acid [3-[[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl] ester ChEBI ID CHEBI:107461 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H12ClFN2O4S Net Charge 0 Average Mass 442.849 Monoisotopic Mass 442.01903 InChI InChI=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) InChIKey JNUIQGKVFFMDLX-UHFFFAOYSA-N SMILES C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)C=C3C(=O)NN(C3=O)C4=CC(=C(C=C4)F)Cl ChEBI Ontology Outgoing 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 Xref Database LSM-18816 LINCS View more database links