Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(C2=CC=C(OC(=O)C3=CC=CS3)C=C2)C2=C(CCCC2=O)O1

InChIKey

InChIKey=OLHORZVZNPZQGU-UHFFFAOYSA-N

Formula

C21H16N2O4S

Mass

392.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenol ester - Phenoxy compound - Thiophene carboxylic acid or derivatives - Cyclohexenone - Monocyclic benzene moiety - Pyran - Thiophene - Heteroaromatic compound - Vinylogous ester - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Carbonitrile - Nitrile - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.

External Descriptors

Not available

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