Structure Information
Structure

Compound Identification

SMILES

C.[H]C(=O)N(CC1=CN=C(C)N=C1N)C(C)=C(CCOC(=O)C1=CC=CC=C1)SC(=O)C1=CC=CC=C1

InChIKey

InChIKey=OFNISPXPYWHRNI-UHFFFAOYSA-N

Formula

C27H30N4O4S

Mass

506.62

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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

Not available

Substituents

Benzoate ester - Thiobenzoic acid or derivatives - Benzoyl - Imidolactam - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Saturated hydrocarbon - Hydrocarbon - 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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