Structure Information
Structure

Compound Identification

SMILES

CN(C)S(=O)(=O)C1=CC=CC(NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N2CCCC2)=C1

InChIKey

InChIKey=VTJYVLXRVUGMLF-UHFFFAOYSA-N

Formula

C23H27N3O6S2

Mass

505.6

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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

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonamide - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Anilide - Benzenesulfonyl group - Aryl thioether - Benzoyl - N-acylpyrrolidine - Thiophenol ether - N-arylamide - Alkylarylthioether - Vinylogous thioester - Organosulfonic acid amide - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-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 2, respectively.

External Descriptors

Not available

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