Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=FPFNZJPZKOCJBO-UHFFFAOYSA-N

Formula

C24H21N3O4S

Mass

447.51

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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 - O-xylene - Xylene - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Enamine - Organoheterocyclic compound - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic oxide - Organonitrogen compound - Organooxygen compound - 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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