Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2=O

InChIKey

InChIKey=RXRWDNBLVWPEHQ-GFCCVEGCSA-N

Formula

C20H19NO5S

Mass

385.43

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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 - N-acyl-piperidine - Piperidinecarboxylic acid - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Pyranone - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Carboxylic acid ester - Lactone - Carboxamide group - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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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