Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1C[C@H]2[C@@H](CF)SC(NC(=O)C3=CC=CC=C3)=N[C@]2(CO1)C1=C(F)C=C(F)C=C1

InChIKey

InChIKey=GVDODWGEJFOWJY-MDDDDHJVSA-N

Formula

C22H21F3N2O3S

Mass

450.48

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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 and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Meta-thiazine - Aryl fluoride - Aryl halide - Oxane - Isothiourea - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Alkyl halide - Alkyl fluoride - Alcohol - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.

External Descriptors

Not available

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