Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CC#CC2=CN3C(S2)=C(C)S(=O)(=O)N(CC2=CC=C(C=C2)C(O)=O)C3=O)C=C1

InChIKey

InChIKey=ZTKNVFKMSCGXNQ-UHFFFAOYSA-N

Formula

C24H20N2O6S2

Mass

496.55

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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

Benzoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoic acid - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Sulfonylurea - Thiadiazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Meta-thiazoline - Thioenolether - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

External Descriptors

Not available

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