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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isocoumarans
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Subclass
Isobenzofuranones
- Level 5 Phthalides
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Subclass
Isobenzofuranones
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Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
Methoxyanilines Anisoles Medium-chain fatty acids Alkyl aryl ethers Halogenated fatty acids Heterocyclic fatty acids Methyl-branched fatty acids Unsaturated fatty acids Vinylogous amides Thiazolidines Tertiary carboxylic acid amides Carboxylic acid esters Lactones Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds Amines Alkyl fluorides
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