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CHEBI:105641 - 4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid

ChEBI IDCHEBI:105641
ChEBI Name4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid
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DownloadsMolfile
FormulaC18H17NO5S
Net Charge0
Average Mass359.403
Monoisotopic Mass359.08274
SMILESCCOC(=O)c1c(NC(=O)C=CC(=O)O)sc(C)c1-c1ccccc1
InChIInChI=1S/C18H17NO5S/c1-3-24-18(23)16-15(12-7-5-4-6-8-12)11(2)25-17(16)19-13(20)9-10-14(21)22/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYZTLNHLIDQNAAU-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)
4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid (CHEBI:105641) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-17004LINCS