Compound Identification
SMILES
CC1=CC(OCC(=O)OCC2=CC(=O)N3C=CSC3=N2)=C(Cl)C=C1
InChIKey
InChIKey=REHCITCOORNCRI-UHFFFAOYSA-N
Formula
C16H13ClN2O4S
Mass
364.8
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 Phenol ethers Toluenes Pyrimidones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazoles Heteroaromatic compounds Carboxylic acid esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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