Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=JTMOZEQIFAPMDC-UHFFFAOYSA-N

Formula

C27H27ClN6O4S

Mass

567.06

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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

Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Thienopyridine - Phenoxy compound - Benzoyl - Phenol ether - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Methyl ester - Thiophene - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Guanidine - Tertiary aliphatic amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboximidamide - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Cyanide - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic nitrogen compound - Amine - Organohalogen compound - 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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