Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(C=C1)C1=NN=C(SCC2=CC(=O)OC3=C2C=CC(C)=C3)N1C1=CC=CC=C1F

InChIKey

InChIKey=LYDCJFDGRGCJOL-UHFFFAOYSA-N

Formula

C27H22FN3O3S

Mass

487.55

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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

Phenyltriazole - Phenyl-1,2,4-triazole - Coumarin - Benzopyran - 1-benzopyran - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Pyranone - Halobenzene - Fluorobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Pyran - Monocyclic benzene moiety - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Triazole - Lactone - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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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