Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(NC=C(C#N)C2=NC(=CS2)C2=CC3=CC=CC=C3OC2=O)=C1)C(=O)OC

InChIKey

InChIKey=XMTHXDBKLTVZQZ-UHFFFAOYSA-N

Formula

C25H17N3O6S

Mass

487.49

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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 heteropolycyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Coumarin - 1-benzopyran - Aminobenzoic acid or derivatives - Benzopyran - Benzoate ester - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Pyranone - Dicarboxylic acid or derivatives - Pyran - Methyl ester - Thiazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Lactone - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Secondary amine - Enamine - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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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