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CHEBI:228432 - 2-(2,5-dimethyl-3-thienyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

ChEBI IDCHEBI:228432
ChEBI Name2-(2,5-dimethyl-3-thienyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NOS2
Net Charge0
Average Mass289.425
Monoisotopic Mass289.05951
SMILESCc1cc(C2CC(=O)Nc3ccccc3S2)c(C)s1
InChIInChI=1S/C15H15NOS2/c1-9-7-11(10(2)18-9)14-8-15(17)16-12-5-3-4-6-13(12)19-14/h3-7,14H,8H2,1-2H3,(H,16,17)
InChIKeyUJULROCCVRBGLM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-(2,5-dimethyl-3-thienyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one (CHEBI:228432) is a benzothiazepine (CHEBI:48684)
IUPAC Name 
2-(2,5-dimethylthiophen-3-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
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