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CHEBI:121063 - 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester

Default Structure
ChEBI IDCHEBI:121063
ChEBI Name2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC19H20FN3O5S
Net Charge0
Average Mass421.450
Monoisotopic Mass421.11077
SMILESCN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H20FN3O5S/c1-23(13-8-10-29(26,27)12-13)17(24)11-28-19(25)14-5-4-9-21-18(14)22-16-7-3-2-6-15(16)20/h2-7,9,13H,8,10-12H2,1H3,(H,21,22)
InChIKeyNIHXOKKSLJWZOK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester (CHEBI:121063) is a aromatic carboxylic acid (CHEBI:33859)
2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester (CHEBI:121063) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-32506LINCS