Structure Information
Structure

Compound Identification

SMILES

FC1=CC=C(C=C1)C1SC2=C(SC(=O)N2)C2C1C(=O)OC1=C(Br)C=C(Br)C=C21

InChIKey

InChIKey=AQXZZJUYVKUPQQ-UHFFFAOYSA-N

Formula

C19H10Br2FNO3S2

Mass

543.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

3,4-dihydrocoumarins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

3,4-dihydrocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3,4-dihydrocoumarin - Benzopyran - Chromane - 1-benzopyran - Aryl thioether - Alkylarylthioether - Halobenzene - Fluorobenzene - Aryl halide - Aryl bromide - Aryl fluoride - Benzenoid - Thiopyran - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.

External Descriptors

Not available

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