Structure Information
Structure

Compound Identification

SMILES

CC1(C)C(C(=O)N2CCC(CC2)C2=NC(=CS2)C(=O)NC2=CC3=C(COC3=O)C=C2)C1(C)C

InChIKey

InChIKey=GSKKGMBDNVZZCV-UHFFFAOYSA-N

Formula

C25H29N3O4S

Mass

467.58

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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 - N-acyl-piperidine - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,4-disubstituted 1,3-thiazole - Cyclopropanecarboxylic acid or derivatives - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Carbonyl group - 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

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