Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CC=CC=C2OCC2=CC=C(Br)C=C2)C(=O)N1CC

InChIKey

InChIKey=KIMSQMPGTPKUEV-UHFFFAOYSA-N

Formula

C28H25BrN2O4S

Mass

565.48

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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 heteromonocyclic compounds

Substituents

Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Thiazolidine - Isothiourea - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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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