Structure Information
Structure

Compound Identification

SMILES

CC(C)OC(=O)C1=C(C)C(C(N)=O)=C(NC(=O)C2=CC3=CC=CC=C3C(=O)O2)S1

InChIKey

InChIKey=XHOVMOLZHBZOEZ-UHFFFAOYSA-N

Formula

C20H18N2O6S

Mass

414.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isocoumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isocoumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isocoumarin - Benzopyran - 2-benzopyran - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Pyranone - Pyran - Benzenoid - Vinylogous amide - Thiophene - Heteroaromatic compound - Primary carboxylic acid amide - Lactone - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.

External Descriptors

Not available

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