Structure Information
Structure

Compound Identification

SMILES

COC1=C(SCC2=C(C)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)C=C2C(=O)N(CC(O)=O)OC2=C1

InChIKey

InChIKey=LVPVHRQGJXJWOM-UHFFFAOYSA-N

Formula

C22H17F3N2O5S2

Mass

510.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Benzisoxazolones

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazolones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzisoxazolone - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - Anisole - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Azole - Isoxazole - Heteroaromatic compound - Thiazole - Lactam - Oxacycle - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Organosulfur compound - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzisoxazolones. These are aromatic compounds containing a benzene ring fused to an isoxazolone moiety.

External Descriptors

Not available

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