Compound Identification
SMILES
COC(=O)C(=C(\F)S\C(C#N)=C(/C)N)\C(F)(F)F
InChIKey
InChIKey=QZZYXHVTIXHSOF-YTXTXJHMSA-N
Formula
C9H8F4N2O2S
Mass
284.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
- Class Vinylogous thioesters
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Vinylogous thioesters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Vinylogous thioesters
Alternative Parents
Vinylogous halides Enoate esters Methyl esters Thioenol ethers Amino acids and derivatives Ketene acetals Vinyl fluorides Sulfenyl compounds Enamines Nitriles Monocarboxylic acids and derivatives Fluoroalkenes Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Vinylogous thioester - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous halide - Amino acid or derivatives - Carboxylic acid ester - Ketene acetal or derivatives - Thioenolether - Fluoroalkene - Haloalkene - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Vinyl fluoride - Vinyl halide - Sulfenyl compound - Cyanide - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Primary aliphatic amine - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Alkyl fluoride - Organic oxide - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as vinylogous thioesters. These are organic compounds containing a thioester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
External Descriptors
Not available