Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C2=C(C=C1)C(COC(=O)C1=CC=CC=C1SC1=CC=CC=C1C#N)=CC(=O)O2

InChIKey

InChIKey=KQZFUHKRMLEEHG-UHFFFAOYSA-N

Formula

C26H19NO4S

Mass

441.5

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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 - Benzoate ester - Benzopyran - O-sulfanylbenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Aryl thioether - Benzonitrile - Benzoyl - Thiophenol ether - Pyranone - Benzenoid - Vinylogous thioester - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Lactone - Sulfenyl compound - Oxacycle - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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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