Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)OC2=CC(OCC(=O)NCCCSC3=CC=CC=C3)=C(Cl)C=C12

InChIKey

InChIKey=JYYPQTFGYJNKBT-UHFFFAOYSA-N

Formula

C21H20ClNO4S

Mass

417.9

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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 - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Pyranone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Organoheterocyclic compound - Sulfenyl compound - Oxacycle - Thioether - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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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