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CHEBI:108215 - 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester

ChEBI IDCHEBI:108215
ChEBI Name2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
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FormulaC19H18BrN3O3S
Net Charge0
Average Mass448.342
Monoisotopic Mass447.02522
SMILESCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1nn(CC)cc1Br
InChIInChI=1S/C19H18BrN3O3S/c1-3-23-10-14(20)16(22-23)17(24)21-18-15(19(25)26-4-2)13(11-27-18)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,21,24)
InChIKeyUWBXGVMJRWXCIM-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-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester (CHEBI:108215) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-19592LINCS