CHEBI:107228 - 5-bromo-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-bromo-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester
ChEBI ID CHEBI:107228
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H13BrN2O3S2
Net Charge 0
Average Mass 413.312
Monoisotopic Mass 411.95510
InChI InChI=1S/C15H13BrN2O3S2/c1-3-20-14(19)13-11(7-22-15-18-17-8(2)23-15)10-6-9(16)4-5-12(10)21-13/h4-6H,3,7H2,1-2H3
InChIKey QOFUSEJVOGYLJR-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=C(S3)C
ChEBI Ontology
Outgoing 5-bromo-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester (CHEBI:107228) is a benzofurans (CHEBI:35259)
Manual Xref Database
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