Structure Information
Structure

Compound Identification

SMILES

CC1=C(Br)C(=O)OC2=C1C=CC(O)=C2C(=O)CSC(=S)N1CCCCC1

InChIKey

InChIKey=UWQJWQCIPCPBPC-UHFFFAOYSA-N

Formula

C18H18BrNO4S2

Mass

456.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

7-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-hydroxycoumarin - 1-benzopyran - Benzopyran - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Aryl bromide - Pyran - Piperidine - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous acid - Dithiocarbamic acid ester - Ketone - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.

External Descriptors

Not available

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