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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > thiophenecarboxylic acid > 6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-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 > 6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > thiophenecarboxylic acid > 6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > thiophenes > thiophenecarboxylic acid > 6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > thiophenes > thiophenecarboxylic acid > 6,6-dimethyl-4-oxo-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C20H22O3S2

inchi

  • InChI=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

inchikey

  • XFYSUPHMJSFOLU-UHFFFAOYSA-N

mass

  • 374.520

monoisotopicmass

  • 374.10104

smiles

  • CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCC3=CC=CC=C3)(C)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93265

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