Compound Identification
SMILES
C[C@H](CC(=O)N1CCSC1=S)C(C(=O)CC1=CC=CC=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=JIWPHHIRAGEKIM-IKJXHCRLSA-N
Formula
C21H27NO4S2
Mass
421.57
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 Thiazolidinethiones Benzene and substituted derivatives 1,3-dicarbonyl compounds Cyclic dithiocarbamic acid esters Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Thiazolidinethione - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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