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CHEBI:113205 - 2-[4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester

ChEBI IDCHEBI:113205
ChEBI Name2-[4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
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FormulaC21H21N3O6S
Net Charge0
Average Mass443.481
Monoisotopic Mass443.11511
SMILESCCOC(=O)c1sc(N2N=C(C)C(=Cc3ccc(OCC(=O)OC)cc3)C2=O)nc1C
InChIInChI=1S/C21H21N3O6S/c1-5-29-20(27)18-13(3)22-21(31-18)24-19(26)16(12(2)23-24)10-14-6-8-15(9-7-14)30-11-17(25)28-4/h6-10H,5,11H2,1-4H3
InChIKeyAKBGLCIGQGUMLW-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-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester (CHEBI:113205) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-24616LINCS