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CHEBI:115494 - 5-[2-(5-methoxycarbonyl-2-thiophenyl)butan-2-yl]-2-thiophenecarboxylic acid methyl ester

ChEBI IDCHEBI:115494
ChEBI Name5-[2-(5-methoxycarbonyl-2-thiophenyl)butan-2-yl]-2-thiophenecarboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC16H18O4S2
Net Charge0
Average Mass338.450
Monoisotopic Mass338.06465
SMILESCCC(C)(c1ccc(C(=O)OC)s1)c1ccc(C(=O)OC)s1
InChIInChI=1S/C16H18O4S2/c1-5-16(2,12-8-6-10(21-12)14(17)19-3)13-9-7-11(22-13)15(18)20-4/h6-9H,5H2,1-4H3
InChIKeyDXEOUNBMNBYGPG-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)
5-[2-(5-methoxycarbonyl-2-thiophenyl)butan-2-yl]-2-thiophenecarboxylic acid methyl ester (CHEBI:115494) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-26951LINCS