Structure Information
Structure

Compound Identification

SMILES

CN(C)C(=S)SCC(=O)C1=C(O)C=CC2=C1OC(=O)C(Br)=C2C

InChIKey

InChIKey=KMMBUDFVFNISRU-UHFFFAOYSA-N

Formula

C15H14BrNO4S2

Mass

416.3

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