Structure Information
Structure

Compound Identification

SMILES

NC1=C(SC(NC2=CC=CC=C2F)=C1C#N)C(=O)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=ZJVKYTJOQQWNCQ-UHFFFAOYSA-N

Formula

C19H12FN3O3S

Mass

381.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodioxoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodioxole - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - Aniline or substituted anilines - Fluorobenzene - Halobenzene - N-arylated-2-aminothiophene - Aminothiophene - Aryl fluoride - 2-aminothiophene - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Ketone - Oxacycle - Acetal - Carbonitrile - Nitrile - Amine - Organopnictogen compound - Primary amine - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

External Descriptors

Not available

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