Compound Identification
SMILES
CCOC(=O)CC(=O)C(=CNC(=S)NNC(C)=O)C(=O)OCC
InChIKey
InChIKey=ABZCOGPOUSTLLU-UHFFFAOYSA-N
Formula
C13H19N3O6S
Mass
345.37
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 Dicarboxylic acids and derivatives Alpha-branched alpha,beta-unsaturated ketones 1,3-dicarbonyl compounds Vinylogous amides Thiosemicarbazides Enones Enoate esters Acryloyl compounds Acetamides Ketones Carboxylic acid hydrazides Organosulfur compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - 1,3-dicarbonyl compound - Acryloyl-group - Enone - Acetamide - Vinylogous amide - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiosemicarbazide - Carboxylic acid ester - Carboxylic acid hydrazide - Ketone - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic acyclic 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