EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:92734 - 4-fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester

ChEBI IDCHEBI:92734
ChEBI Name4-fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester
Stars
DownloadsMolfile
FormulaC17H11FN2O3S2
Net Charge0
Average Mass374.418
Monoisotopic Mass374.01951
SMILESO=C(OCC#CCSc1nnc(-c2cccs2)o1)c1ccc(F)cc1
InChIInChI=1S/C17H11FN2O3S2/c18-13-7-5-12(6-8-13)16(21)22-9-1-2-10-25-17-20-19-15(23-17)14-4-3-11-24-14/h3-8,11H,9-10H2
InChIKeyDATIAPBYKVSBBH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester (CHEBI:92734) is a benzoate ester (CHEBI:36054)
Manual XrefsDatabases
LSM-2925LINCS