Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CN2C(=O)C[C@@H](SC2=NC2=CC=C(OC)C=C2)C(=O)NC2=CC=CC(=C2)C([O-])=O)C=C1

InChIKey

InChIKey=NDXYYOKRYHXYOA-HSZRJFAPSA-M

Formula

C27H24N3O6S

Mass

518.56

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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

Not available

Direct Parent

Acylaminobenzoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Acylaminobenzoic acid or derivatives - Benzoic acid - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - 1,3-thiazinane - Carboxamide group - Carboxylic acid salt - Isothiourea - Secondary carboxylic acid amide - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

External Descriptors

Not available

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