Structure Information
Structure

Compound Identification

SMILES

COC(=O)CSC1=NN=C(NC(=O)C2=CC3=CC=CC=C3OC2=O)S1

InChIKey

InChIKey=ZJNQPOCABVZRCN-UHFFFAOYSA-N

Formula

C15H11N3O5S2

Mass

377.39

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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 - Pyranone - Alkylarylthioether - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - 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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