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CHEBI:93265 - 6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester

ChEBI IDCHEBI:93265
ChEBI Name6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC20H22O3S2
Net Charge0
Average Mass374.527
Monoisotopic Mass374.10104
SMILESCCOC(=O)c1sc(SCc2ccccc2)c2c1CC(C)(C)CC2=O
InChIInChI=1S/C20H22O3S2/c1-4-23-18(22)17-14-10-20(2,3)11-15(21)16(14)19(25-17)24-12-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3
InChIKeyXFYSUPHMJSFOLU-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)
6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester (CHEBI:93265) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-3611LINCS