EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:107774 - 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester

ChEBI IDCHEBI:107774
ChEBI Name3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC19H21N3O3S
Net Charge0
Average Mass371.462
Monoisotopic Mass371.13036
SMILESCCCCNC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C19H21N3O3S/c1-3-4-10-20-17(23)12-25-19(24)16-11-15-13(2)21-22(18(15)26-16)14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H,20,23)
InChIKeyBPSBWFCKMLDGLC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester (CHEBI:107774) is a pyrazoles (CHEBI:26410)
3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester (CHEBI:107774) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-19151LINCS