Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)CSC2=NN=C(CNC(=O)C3=CC=CC=C3F)N2C2CCCCC2)SC2=C1CCC2

InChIKey

InChIKey=BYUOIDNQXOVITK-UHFFFAOYSA-N

Formula

C28H32FN5O4S2

Mass

585.71

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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

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Thiophene carboxylic acid or derivatives - Aryl thioether - N-arylamide - Benzoyl - Halobenzene - Alkylarylthioether - Fluorobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Thiophene - Azole - Vinylogous amide - 1,2,4-triazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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