Structure Information
Structure

Compound Identification

SMILES

ClC1=CC(Cl)=C(C=C1)C1=CSC(SCC(=O)NC2=CC3=C(OC(=O)C=C3)C=C2)=N1

InChIKey

InChIKey=QJMTYCUSYNGQKW-UHFFFAOYSA-N

Formula

C20H12Cl2N2O3S2

Mass

463.35

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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 - Aryl thioether - 1,3-dichlorobenzene - N-arylamide - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Pyranone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Pyran - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Lactone - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Oxacycle - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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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