Compound Identification
SMILES
CCCC(NOC\C=C\Cl)=C1C(=O)CC(CC(C)SCC)C(C(=O)OCC)C1=O
InChIKey
InChIKey=ZAGYFJFRIYWILR-LQZQTDKRSA-N
Formula
C21H32ClNO5S
Mass
446.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
- Level 5 1,3-dicarbonyl compounds
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Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dicarbonyl compounds
Alternative Parents
Vinylogous amides Cyclic ketones Carboxylic acid esters Vinyl chlorides Sulfenyl compounds N-organohydroxylamines Monocarboxylic acids and derivatives Dialkylthioethers Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
1,3-dicarbonyl compound - Vinylogous amide - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Thioether - Vinyl chloride - Vinyl halide - Sulfenyl compound - N-organohydroxylamine - Dialkylthioether - Haloalkene - Chloroalkene - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
External Descriptors
Not available