Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(CN2CCC3=C(C2)SC(NC(=O)C2=C(Cl)C=CC(OCCN)=C2)=C3C#N)C=C1

InChIKey

InChIKey=QDEAPNHQTJFXMN-UHFFFAOYSA-N

Formula

C26H25ClN4O4S

Mass

525.02

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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 heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Thienopyridine - Benzamide - Phenol ether - Phenylmethylamine - Benzylamine - Phenoxy compound - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Vinylogous halide - Methyl ester - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Primary aliphatic amine - Cyanide - Organic oxide - Aromatic heteropolycyclic 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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