CHEBI:113205 - 2-[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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ChEBI Name 2-[4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester ChEBI ID CHEBI:113205 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H21N3O6S Net Charge 0 Average Mass 443.475 Monoisotopic Mass 443.11511 InChI InChI=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 InChIKey AKBGLCIGQGUMLW-UHFFFAOYSA-N SMILES CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)OC)C(=N2)C)C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Xref Database LSM-24616 LINCS View more database links