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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > thiophenecarboxylic acid > 3-(methylthio)-4-oxo-6,7-dihydro-5h-2-benzothiophene-1-carboxylic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > thiophenecarboxylic acid > 3-(methylthio)-4-oxo-6,7-dihydro-5h-2-benzothiophene-1-carboxylic acid ethyl ester

Preferred term

3-(methylthio)-4-oxo-6,7-dihydro-5h-2-benzothiophene-1-carboxylic acid ethyl ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C12H14O3S2

inchi

  • InChI=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

inchikey

  • BHVLZDJJLSBOHJ-UHFFFAOYSA-N

mass

  • 270.370

monoisotopicmass

  • 270.03844

smiles

  • CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93396

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