Compound Identification
SMILES
CC(NC(=O)COC(=O)CCC(=O)C1=CC=CS1)C1=CC=CC=C1
InChIKey
InChIKey=IJDXZOZJGUFIOP-UHFFFAOYSA-N
Formula
C18H19NO4S
Mass
345.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Gamma-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
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Gamma-keto acids and derivatives
Alternative Parents
Aryl alkyl ketones Fatty acid esters Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
Not available