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CHEBI:116295 - 4,5-dichloro-3-isothiazolecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester

ChEBI IDCHEBI:116295
ChEBI Name4,5-dichloro-3-isothiazolecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester
Stars
DownloadsMolfile
FormulaC13H12Cl2N2O3S2
Net Charge0
Average Mass379.290
Monoisotopic Mass377.96664
SMILESCCC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1
InChIInChI=1S/C13H12Cl2N2O3S2/c1-2-8(12(18)16-6-7-4-3-5-21-7)20-13(19)10-9(14)11(15)22-17-10/h3-5,8H,2,6H2,1H3,(H,16,18)
InChIKeyBYVGVYCVFJGXSL-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)
4,5-dichloro-3-isothiazolecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester (CHEBI:116295) is a aromatic carboxylic acid (CHEBI:33859)
4,5-dichloro-3-isothiazolecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester (CHEBI:116295) is a thiazoles (CHEBI:48901)
Manual XrefsDatabases
LSM-27750LINCS