Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(CSC2=NC(=CC3=CC4=C(OCO4)C=C3)C(=O)N2C2=CC=C(C)C=C2)C=C1

InChIKey

InChIKey=BOCRWAHVRITSDL-UHFFFAOYSA-N

Formula

C27H22N2O5S

Mass

486.54

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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

Alpha-amino acid or derivatives - Benzoate ester - Benzodioxole - Benzoyl - Imidazolyl carboxylic acid derivative - Toluene - Imidazolinone - 2-imidazoline - Methyl ester - Carboxylic acid ester - Isothiourea - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - 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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