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CHEBI:116478 - 4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid

ChEBI IDCHEBI:116478
ChEBI Name4-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid
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DownloadsMolfile
FormulaC18H17NO5S
Net Charge0
Average Mass359.403
Monoisotopic Mass359.08274
SMILESCOC(=O)c1c(NC(=O)C=CC(=O)O)sc(Cc2ccccc2)c1C
InChIInChI=1S/C18H17NO5S/c1-11-13(10-12-6-4-3-5-7-12)25-17(16(11)18(23)24-2)19-14(20)8-9-15(21)22/h3-9H,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyHTYFKYNJJYRMJB-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-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid (CHEBI:116478) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-27932LINCS