EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114587 - 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester

ChEBI IDCHEBI:114587
ChEBI Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester
Stars
DownloadsMolfile
FormulaC24H24N4O5S
Net Charge0
Average Mass480.546
Monoisotopic Mass480.14674
SMILESCc1c(NC(=O)C(C)OC(=O)CC2Sc3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H24N4O5S/c1-14-21(24(32)28(27(14)3)16-9-5-4-6-10-16)26-22(30)15(2)33-20(29)13-19-23(31)25-17-11-7-8-12-18(17)34-19/h4-12,15,19H,13H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyYQZBDSLRIRIKPW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester (CHEBI:114587) is a pyrazoles (CHEBI:26410)
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester (CHEBI:114587) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-26049LINCS