Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C(C(=O)OCC)=C(NC(C)=O)S1)C1=CC2=C(OC1=O)C=CC(Cl)=C2

InChIKey

InChIKey=UIFURJKGBIWWOL-UHFFFAOYSA-N

Formula

C21H18ClNO7S

Mass

463.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - N-acetylarylamine - Thiophene carboxylic acid or derivatives - N-arylamide - Pyranone - Aryl chloride - Aryl halide - Pyran - Benzenoid - Heteroaromatic compound - Acetamide - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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