Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC(=O)OC)C=CC(\C=C2/SC(=NC3=CC=CC(=C3)C([O-])=O)N(C)C2=O)=C1

InChIKey

InChIKey=BIWBVDJSZBHIBG-BILQUMLASA-M

Formula

C23H21N2O7S

Mass

469.49

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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 - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Thiazolidine - Methyl ester - Carboxylic acid ester - Carboxylic acid salt - Isothiourea - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic anion - 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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