Compound Identification
SMILES
CCOC(=O)CC(=O)C(=C(SC)SC)[N+]1=CC=C(C)C=C1
InChIKey
InChIKey=XELYVMGUUWWPCJ-UHFFFAOYSA-N
Formula
C15H20NO3S2
Mass
326.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Fatty acid esters Methylpyridines Vinylogous thioesters 1,3-dicarbonyl compounds Pyridinium derivatives Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Heteroaromatic compounds Carboxylic acid esters Ketones Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Methylpyridine - Pyridine - Pyridinium - 1,3-dicarbonyl compound - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Vinylogous thioester - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Sulfenyl compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available