Structure Information
Structure

Compound Identification

SMILES

FC1=CC=CC=C1CN1C(=O)SC(=CC2=CC3=CC=CC=C3OC2=O)C1=O

InChIKey

InChIKey=NKFQTJDDJBPOIY-UHFFFAOYSA-N

Formula

C20H12FNO4S

Mass

381.38

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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 - Fluorobenzene - Halobenzene - Pyranone - Thiazolidinedione - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen 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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