Compound Identification
SMILES
CCCOC(=O)C(C(C)=O)=C1SC(C(S1)N(C)C)N(C)C
InChIKey
InChIKey=HVWSFNTYFHRPFV-UHFFFAOYSA-N
Formula
C14H24N2O3S2
Mass
332.48
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 Vinylogous thioesters Enones Enoate esters Acryloyl compounds 1,3-dithiolanes Ketones Ketene acetals Thiohemiaminal derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Vinylogous thioester - Fatty acyl - Acryloyl-group - Dithiolane - Enone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,3-dithiolane - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Hemithioaminal - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aliphatic 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