Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(SC)=C1)C(=O)NNC(=O)C1COC2=CC=CC=C2O1

InChIKey

InChIKey=UPACXODVWOQRJW-UHFFFAOYSA-N

Formula

C18H18N2O5S

Mass

374.41

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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

Sulfanylbenzoic acids and derivatives

Direct Parent

P-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - Benzodioxane - P-sulfanylbenzoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Para-dioxin - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.

External Descriptors

Not available

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