Compound Identification
SMILES
CCOC(=O)COC1=CC=CC=C1C1SCC(=O)N1CC1=CC(OC)=C(O)C=C1
InChIKey
InChIKey=IAEUQAASLKHQKK-UHFFFAOYSA-N
Formula
C21H23NO6S
Mass
417.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Thiazolidines Tertiary carboxylic acid amides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available