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CHEBI:119947 - 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester

ChEBI IDCHEBI:119947
ChEBI Name5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC18H25NO5S2
Net Charge0
Average Mass399.534
Monoisotopic Mass399.11741
SMILESCC(C)CN(C(=O)COC(=O)c1cc2c(s1)CCC2)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H25NO5S2/c1-12(2)9-19(14-6-7-26(22,23)11-14)17(20)10-24-18(21)16-8-13-4-3-5-15(13)25-16/h8,12,14H,3-7,9-11H2,1-2H3
InChIKeyRDUQAOLDJRZPCF-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)
5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-(2-methylpropyl)amino]-2-oxoethyl] ester (CHEBI:119947) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
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