Structure Information
Structure

Compound Identification

SMILES

COC1=C(O[C@H](C)C(O)=O)C=CC(\C=C2\SC(NC3=C(C)C=CC(Cl)=C3)=NC2=O)=C1

InChIKey

InChIKey=HTROECLAAXEVIF-KBSHCFNASA-N

Formula

C21H19ClN2O5S

Mass

446.9

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

2-phenoxypropionic acids

Intermediate Tree Nodes

Not available

Direct Parent

2-phenoxypropionic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Meta-thiazoline - Isothiourea - N-acylimine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.

External Descriptors

Not available

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