Structure Information
Structure

Compound Identification

SMILES

COC(=O)COC1=C(OC)C=C(C=C2SC(=O)N(CC(=O)N3CCCC3)C2=O)C(Br)=C1

InChIKey

InChIKey=JGVQQLFJSAZAOJ-UHFFFAOYSA-N

Formula

C20H21BrN2O7S

Mass

513.36

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenoxyacetate - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - N-acylpyrrolidine - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Thiazolidinedione - Aryl bromide - Aryl halide - Pyrrolidine - Methyl ester - Dicarboximide - Tertiary carboxylic acid amide - Thiazolidine - Thiocarbamic acid derivative - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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

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