Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(N(C)C(=O)C(F)(F)F)=C1C\C=C(/C)CC(CCN1CCSC1)C(O)=O

InChIKey

InChIKey=SDWACCJEVNFKJP-LHHJGKSTSA-N

Formula

C25H31F3N2O6S

Mass

544.59

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Methoxyaniline - Medium-chain fatty acid - Anisole - Phenol ether - Alkyl aryl ether - Methyl-branched fatty acid - Branched fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Vinylogous amide - Thiazolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Organic oxide - Alkyl halide - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

External Descriptors

Not available

Previous Back Next