Compound Identification
SMILES
CCOC(=O)[C@H](CC1=CC=CS1)C(=O)\C=C\OC
InChIKey
InChIKey=NFFXSIBOFIHRPJ-XUIVZRPNSA-N
Formula
C13H16O4S
Mass
268.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
-
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 1,3-dicarbonyl compounds Vinylogous esters Thiophenes Heteroaromatic compounds Enones Acryloyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Acryloyl-group - Heteroaromatic compound - Enone - Vinylogous ester - Alpha,beta-unsaturated ketone - Thiophene - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - 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