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Structure Information
Structure

Compound Identification

SMILES

O=C1OC2=CC=CC=C2C2=C1SC1=CC=CC=C1N2

InChIKey

InChIKey=BUPPVTUKPWAYCH-UHFFFAOYSA-N

Formula

C15H9NO2S

Mass

267.3

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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 - Diarylthioether - Benzopyran - Benzothiazine - 1-benzopyran - Aryl thioether - Pyranone - Para-thiazine - Primary aromatic amine - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous amide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - 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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