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CHEBI:92268 - cyclobutanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

Default Structure
ChEBI IDCHEBI:92268
ChEBI Namecyclobutanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
Stars
Last Modified7 September 2020
DownloadsMolfile
FormulaC21H18N2O3S
Net Charge0
Average Mass378.453
Monoisotopic Mass378.10381
SMILESO=C(OCC#CCSc1nnc(-c2cccc3ccccc23)o1)C1CCC1
InChIInChI=1S/C21H18N2O3S/c24-20(16-9-5-10-16)25-13-3-4-14-27-21-23-22-19(26-21)18-12-6-8-15-7-1-2-11-17(15)18/h1-2,6-8,11-12,16H,5,9-10,13-14H2
InChIKeyBRCGNKHUMRXIKW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
cyclobutanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:92268) is a cyclobutanes (CHEBI:156473)
cyclobutanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester (CHEBI:92268) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
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