Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=CC(CC=C)=C1OCC#C

InChIKey

InChIKey=WPPNGHIIUKSDFK-UHFFFAOYSA-N

Formula

C25H20N2O6S

Mass

476.5

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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 - Thiobarbiturate - Benzoic acid - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Heterocyclic fatty acid - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Unsaturated fatty acid - N-acyl-amine - 1,3-diazinane - Haloacetylene or derivatives - Acetylide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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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