Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(=CC=C1)N=C1SC(=CC2=CN(CC3=CC=C(F)C=C3)C3=CC=CC=C23)C(=O)N1CC

InChIKey

InChIKey=XKNFZODVANFZCT-UHFFFAOYSA-N

Formula

C30H26FN3O3S

Mass

527.61

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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 - N-alkylindole - Indole - Indole or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Thiazolidine - Pyrrole - Carboxylic acid ester - Isothiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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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