Structure Information
Structure

Compound Identification

SMILES

CCC1=NN2C(S1)=NC(=O)C(=CC1=CC=C(OC(=O)C3=CC=CO3)C=C1)C2=N

InChIKey

InChIKey=IJOHLTYEFLRHSB-UHFFFAOYSA-N

Formula

C19H14N4O4S

Mass

394.41

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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 - Furoic acid ester - Furoic acid or derivatives - Phenoxy compound - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Thiadiazoline - Carboxylic acid ester - N-acylimine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Amidine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - 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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