Concept information
...
organic heterocyclic compound
organosulfur heterocyclic compound
thiophenes
thiophenecarboxylic acid
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
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:93265
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