Structure Information
Structure

Compound Identification

SMILES

FC1=CC2=C(N=C(NC(=O)COC(=O)C3=CC=CC(=C3)C#N)S2)C(F)=C1F

InChIKey

InChIKey=HZVHEJLBVWRIBT-UHFFFAOYSA-N

Formula

C17H8F3N3O3S

Mass

391.32

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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 acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - 1,3-benzothiazole - Benzonitrile - Benzoyl - N-arylamide - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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