Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(C=C1)C1=NN=C(O1)SCC#CCOC(=O)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=KYJDGLMHUQABPA-UHFFFAOYSA-N

Formula

C21H17ClN2O4S

Mass

428.89

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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 heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Phenol ether - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Alkylarylthioether - Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Oxadiazole - 1,3,4-oxadiazole - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Ether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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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