Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C2SC(N(C2=O)C2=CC=CC=C2F)=C(C#N)C(=O)NCCN2CCOCC2)C=C1

InChIKey

InChIKey=SZXZOLAGQWYIMW-UHFFFAOYSA-N

Formula

C27H25FN4O5S

Mass

536.58

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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 - Benzoyl - Halobenzene - Fluorobenzene - Morpholine - Aryl fluoride - Aryl halide - Oxazinane - Azole - Heteroaromatic compound - Thiazole - Methyl ester - Vinylogous amide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Lactam - Carboxamide group - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - 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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