Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(C)CC(=O)OC1=CC=CC=C1C(=O)NC1=NC(C(=O)OC)=C(S1)S(C)(=O)=O

InChIKey

InChIKey=VWJCRDQBWRQLTN-UHFFFAOYSA-N

Formula

C20H22N2O9S2

Mass

498.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Acylsalicylic acids and derivatives

Direct Parent

Acylsalicylamides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Acylsalicylamide - Phenol ester - Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Benzoyl - Thiazolecarboxylic acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Sulfonyl - Sulfone - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylsalicylamides. These are o-acylated derivatives of salicylamide.

External Descriptors

Not available

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