Structure Information
Structure

Compound Identification

SMILES

ONC(=O)[C@H]1CCN1C(=O)C1=CC(SC(F)(C(F)(F)F)C(F)(F)F)=CC=C1

InChIKey

InChIKey=FYJPKRFDRKDNNJ-SECBINFHSA-N

Formula

C14H11F7N2O3S

Mass

420.3

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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

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - M-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Hydroxamic acid - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-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 3, respectively.

External Descriptors

Not available

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