Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC1=NN=C(CNC(=O)C2=C(F)C=CC=C2Cl)O1

InChIKey

InChIKey=QUAJHVVKLNQXAT-UHFFFAOYSA-N

Formula

C19H21ClFN5O5S

Mass

485.92

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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 heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Piperazine-1-carboxylic acid - Aryl thioether - Benzoyl - Halobenzene - Fluorobenzene - Alkylarylthioether - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - 1,3,4-oxadiazole - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Vinylogous halide - Oxadiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteromonocyclic 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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