Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(NC=C(C#N)C2=NC(=CS2)C2=CC=C(Cl)C=C2)=C1)C(=O)OC

InChIKey

InChIKey=BLXSPGZPCJGFMD-UHFFFAOYSA-N

Formula

C22H16ClN3O4S

Mass

453.9

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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

Phthalic acid and derivatives - Phthalate esters

Direct Parent

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Methyl ester - Thiazole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Organohalogen compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic nitrogen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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