EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109794 - 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone

ChEBI IDCHEBI:109794
ChEBI Name2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone
Stars
DownloadsMolfile
FormulaC18H18N2O2S
Net Charge0
Average Mass326.421
Monoisotopic Mass326.10890
SMILESC=CCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C
InChIInChI=1S/C18H18N2O2S/c1-4-9-20-12(2)10-14(13(20)3)16(21)11-23-18-19-15-7-5-6-8-17(15)22-18/h4-8,10H,1,9,11H2,2-3H3
InChIKeyVDZYKTVXIQGYID-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone (CHEBI:109794) is a benzoxazole (CHEBI:46700)
Manual XrefsDatabases
LSM-21222LINCS