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CHEBI:108118 - 2-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-3-methyl-3-bicyclo[2.2.1]hept-5-enecarboxylic acid

ChEBI IDCHEBI:108118
ChEBI Name2-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-3-methyl-3-bicyclo[2.2.1]hept-5-enecarboxylic acid
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DownloadsMolfile
FormulaC21H25NO5S
Net Charge0
Average Mass403.500
Monoisotopic Mass403.14534
SMILESCCOC(=O)c1c(NC(=O)C2C3C=CC(C3)C2(C)C(=O)O)sc2c1CCCC2
InChIInChI=1S/C21H25NO5S/c1-3-27-19(24)15-13-6-4-5-7-14(13)28-18(15)22-17(23)16-11-8-9-12(10-11)21(16,2)20(25)26/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyMYCPMISCHRNPFC-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-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-3-methyl-3-bicyclo[2.2.1]hept-5-enecarboxylic acid (CHEBI:108118) is a thiophenecarboxylic acid (CHEBI:48436)
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