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CHEBI:114216 - 8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester

ChEBI IDCHEBI:114216
ChEBI Name8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC13H13NO4S2
Net Charge0
Average Mass311.384
Monoisotopic Mass311.02860
SMILESCCOC(=O)c1sc(S(C)=O)c2c1CCc1conc1-2
InChIInChI=1S/C13H13NO4S2/c1-3-17-12(15)11-8-5-4-7-6-18-14-10(7)9(8)13(19-11)20(2)16/h6H,3-5H2,1-2H3
InChIKeyUSHCPDWUWDCEDT-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)
8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester (CHEBI:114216) is a thiophenecarboxylic acid (CHEBI:48436)
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