Compound Identification
SMILES
CC(OC1=CC=C(OC2=CN=C3C=C(Cl)C=CC3=N2)C=C1)C(=O)OC1CCSC2=CC=CC=C12
InChIKey
InChIKey=PCJWMTQXIOJUHU-UHFFFAOYSA-N
Formula
C26H21ClN2O4S
Mass
492.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acid esters
Alternative Parents
Phenoxyacetic acid derivatives Diarylethers Thiochromanes Quinoxalines 1-benzothiopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers Thiopyrans Pyrazines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenoxypropionic acid ester - Phenoxyacetate - Diaryl ether - Quinoxaline - Thiochromane - 1-benzothiopyran - Benzothiopyran - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Pyrazine - Aryl chloride - Thiopyran - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Thioether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester.
External Descriptors
Not available