Structure Information
Structure

Compound Identification

SMILES

ClC1=CC2=C(OC(=O)C(=C2)C2=CN3C(SC4=C3C=CC(OC3=CC=CC=C3)=C4)=N2)C=C1

InChIKey

InChIKey=KGMRYXKTSMBGAA-UHFFFAOYSA-N

Formula

C24H13ClN2O3S

Mass

444.89

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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

Diaryl ether - Coumarin - 1-benzopyran - Benzopyran - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Pyranone - Monocyclic benzene moiety - Aryl chloride - Benzenoid - N-substituted imidazole - Pyran - Aryl halide - Heteroaromatic compound - Thiazole - Imidazole - Azole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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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