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CHEBI:189502 - 2-(tert-butylsulfonyl)-3-(3-methylbenzo[b]thiophen-2-yl)acrylonitrile

ChEBI IDCHEBI:189502
ChEBI Name2-(tert-butylsulfonyl)-3-(3-methylbenzo[b]thiophen-2-yl)acrylonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17NO2S2
Net Charge0
Average Mass319.451
Monoisotopic Mass319.07007
SMILESCc1c(C=C(C#N)S(=O)(=O)C(C)(C)C)sc2ccccc12
InChIInChI=1S/C16H17NO2S2/c1-11-13-7-5-6-8-14(13)20-15(11)9-12(10-17)21(18,19)16(2,3)4/h5-9H,1-4H3
InChIKeyBIZAFLRWZNGHQO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
2-(tert-butylsulfonyl)-3-(3-methylbenzo[b]thiophen-2-yl)acrylonitrile (CHEBI:189502) is a 1-benzothiophenes (CHEBI:38836)
IUPAC Name 
2-tert-butylsulonyl-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enenitrile
Manual XrefsDatabases
2102481ChemSpider