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CHEBI:116458 - 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:116458
ChEBI Name4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
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DownloadsMolfile
FormulaC18H18N4O3S2
Net Charge0
Average Mass402.501
Monoisotopic Mass402.08203
SMILESCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1
InChIInChI=1S/C18H18N4O3S2/c1-3-25-17(24)12-6-8-13(9-7-12)19-15(23)11-27-18-21-20-16(22(18)2)14-5-4-10-26-14/h4-10H,3,11H2,1-2H3,(H,19,23)
InChIKeyYKBCCEUTWLIFOK-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-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester (CHEBI:116458) is a amidobenzoic acid (CHEBI:48470)
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