Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate (CHEBI:194783)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate

ChEBI ID	CHEBI:194783

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O3S2

Net Charge

Average Mass

258.350

Monoisotopic Mass

258.03844

InChI

InChI=1S/C11H14O3S2/c1-5-14-10(13)9-6(2)8(7(3)12)11(15-4)16-9/h5H2,1-4H3

InChIKey

QBWHYBOPMHDWHS-UHFFFAOYSA-N

SMILES

S1C(=C(C(=C1SC)C(=O)C)C)C(OCC)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate (CHEBI:194783) is a thiophenecarboxylic acid (CHEBI:48436)

IUPAC Name

ethyl 4-acetyl-3-methyl-5-methylsulanylthiophene-2-carboxylate