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CHEBI:183686 - 3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin

ChEBI IDCHEBI:183686
ChEBI Name3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19N3O5S
Net Charge0
Average Mass413.455
Monoisotopic Mass413.10454
SMILESCCN(CC)c1ccc2cc(-c3nc4cc(S(N)(=O)=O)ccc4o3)c(=O)oc2c1
InChIInChI=1S/C20H19N3O5S/c1-3-23(4-2)13-6-5-12-9-15(20(24)28-18(12)10-13)19-22-16-11-14(29(21,25)26)7-8-17(16)27-19/h5-11H,3-4H2,1-2H3,(H2,21,25,26)
InChIKeySDUIURJVOCHJCO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin (CHEBI:183686) is a coumarins (CHEBI:23403)
IUPAC Name 
2-[7-(diethylamino)-2-oxochromen-3-yl]-1,3-benzoxazole-5-sulonamide
Manual XrefsDatabases
56054ChemSpider
Registry NumbersSources
CAS:68427-35-0ChemIDplus