Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C1(CCN2C=CN=C2)OC(COC(=O)C2=CC=CC=C2)CS1

InChIKey

InChIKey=TWWZQMWKVDMDRZ-UHFFFAOYSA-N

Formula

C22H21ClN2O3S

Mass

428.93

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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

Benzoate ester - Benzoyl - Chlorobenzene - Halobenzene - Monothioketal - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Oxathiolane - Imidazole - Monothioacetal - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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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