Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=XLPKVWCPRDQSHD-UHFFFAOYSA-N

Formula

C22H15Cl2N3O4S

Mass

488.34

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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

p-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.

External Descriptors

Not available

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