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CHEBI:109623 - 2-[[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

ChEBI IDCHEBI:109623
ChEBI Name2-[[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC16H21Cl3N2O3S
Net Charge0
Average Mass427.781
Monoisotopic Mass426.03385
SMILESCCOC(=O)c1c(NC(NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCC2
InChIInChI=1S/C16H21Cl3N2O3S/c1-4-24-14(23)11-9-6-5-7-10(9)25-13(11)21-15(16(17,18)19)20-12(22)8(2)3/h8,15,21H,4-7H2,1-3H3,(H,20,22)
InChIKeyLUVINOPLWTUFRM-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-[[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester (CHEBI:109623) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
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