CHEBI:105548 - 4-oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] ester

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ChEBI Name 4-oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] ester
ChEBI ID CHEBI:105548
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H15NO4S
Net Charge 0
Average Mass 269.318
Monoisotopic Mass 269.07218
InChI InChI=1S/C12H15NO4S/c1-2-13-11(15)8-17-12(16)6-5-9(14)10-4-3-7-18-10/h3-4,7H,2,5-6,8H2,1H3,(H,13,15)
InChIKey CDDQAQPBRRMWHR-UHFFFAOYSA-N
SMILES CCNC(=O)COC(=O)CCC(=O)C1=CC=CS1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] ester (CHEBI:105548) is a oxo carboxylic acid (CHEBI:25754)
Manual Xref Database
LSM-16911 LINCS
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