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CHEBI:93396 - 3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester

ChEBI IDCHEBI:93396
ChEBI Name3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC12H14O3S2
Net Charge0
Average Mass270.375
Monoisotopic Mass270.03844
SMILESCCOC(=O)c1sc(SC)c2c1CCCC2=O
InChIInChI=1S/C12H14O3S2/c1-3-15-11(14)10-7-5-4-6-8(13)9(7)12(16-2)17-10/h3-6H2,1-2H3
InChIKeyBHVLZDJJLSBOHJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester (CHEBI:93396) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-3785LINCS