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CHEBI:116769 - 2-thiophenecarboxylic acid [3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester

ChEBI IDCHEBI:116769
ChEBI Name2-thiophenecarboxylic acid [3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester
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DownloadsMolfile
FormulaC15H17NO3S2
Net Charge0
Average Mass323.439
Monoisotopic Mass323.06499
SMILESCC(C)C(OC(=O)c1cccs1)C(=O)NCc1cccs1
InChIInChI=1S/C15H17NO3S2/c1-10(2)13(19-15(18)12-6-4-8-21-12)14(17)16-9-11-5-3-7-20-11/h3-8,10,13H,9H2,1-2H3,(H,16,17)
InChIKeyYRMWNJJGZIIGOS-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-thiophenecarboxylic acid [3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester (CHEBI:116769) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-28221LINCS