Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC(O)=O)C=CC(C=C2SC3=NC(C)=C(C(N3C2=O)C2=CC=C(C=C2)C(C)C)C(=O)OCCOC)=C1

InChIKey

InChIKey=BSFVGIPASCRVLK-UHFFFAOYSA-N

Formula

C31H34N2O8S

Mass

594.68

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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 heteropolycyclic compounds

Substituents

Phenoxyacetate - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Carboxylic acid ester - Lactam - Isothiourea - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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

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