Structure Information
Structure

Compound Identification

SMILES

COCCN(C(C)=O)C1=C2SC(NC(=O)C3=CC=C(F)C=C3)=NC2=C(OC)C=C1

InChIKey

InChIKey=XNZCLYWXYVRFOT-UHFFFAOYSA-N

Formula

C20H20FN3O4S

Mass

417.46

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzamide - Methoxyaniline - Phenol ether - Benzoyl - Anisole - Fluorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azole - Acetamide - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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