Compound Identification
SMILES
CCC(C)N1C(=O)SC(=CC2=CC(CC=C)=C(OCC(=O)OC)C(OC)=C2)C1=O
InChIKey
InChIKey=DPQLIJBLLLEKMZ-UHFFFAOYSA-N
Formula
C21H25NO6S
Mass
419.49
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
Phenoxy compounds Methoxybenzenes Anisoles Thiazolidinediones Alkyl aryl ethers Methyl esters Dicarboximides Thiocarbamic acid derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Thiazolidinedione - Dicarboximide - Methyl ester - Thiazolidine - Carboxylic acid ester - Thiocarbamic acid derivative - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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