Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)NCCN1C(=O)CC(SC3=CC=CC=C3)C1=O)C(=O)O2)C(F)(F)F

InChIKey

InChIKey=KKHWIWRXUQJLQJ-UHFFFAOYSA-N

Formula

C27H26F3N3O5S

Mass

561.58

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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 - Tertiary aliphatic/aromatic amine - Thiophenol ether - Dialkylarylamine - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyran - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Lactone - Thioether - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Amine - Alkyl fluoride - 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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