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CHEBI:107993 - 4-[[2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester

ChEBI IDCHEBI:107993
ChEBI Name4-[[2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC24H25N3O4S
Net Charge0
Average Mass451.548
Monoisotopic Mass451.15658
SMILESCCOC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)C(=Cc2cccc(C)c2)S3)CC1
InChIInChI=1S/C24H25N3O4S/c1-3-31-24(30)27-11-9-26(10-12-27)23(29)18-7-8-20-19(15-18)25-22(28)21(32-20)14-17-6-4-5-16(2)13-17/h4-8,13-15H,3,9-12H2,1-2H3,(H,25,28)
InChIKeyMAWWLDSICPSISK-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4-[[2-[(3-methylphenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:107993) is a benzothiazine (CHEBI:46899)
Manual XrefsDatabases
LSM-19370LINCS