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CHEBI:114515 - 2-[[2,2,2-trichloro-1-[(2,2-dimethyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester

ChEBI IDCHEBI:114515
ChEBI Name2-[[2,2,2-trichloro-1-[(2,2-dimethyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC16H21Cl3N2O3S
Net Charge0
Average Mass427.781
Monoisotopic Mass426.03385
SMILESCOC(=O)c1c(NC(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2c1CCC2
InChIInChI=1S/C16H21Cl3N2O3S/c1-15(2,3)14(23)21-13(16(17,18)19)20-11-10(12(22)24-4)8-6-5-7-9(8)25-11/h13,20H,5-7H2,1-4H3,(H,21,23)
InChIKeyGDPJAJLALUWQKQ-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-[(2,2-dimethyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester (CHEBI:114515) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-25976LINCS