Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C2=C(C=C1)C(CSC1=NN=C(N1C1=CC=CC=C1)C1=CC3=C(OCO3)C=C1)=CC(=O)O2

InChIKey

InChIKey=FVTHTTXHGZQWFD-UHFFFAOYSA-N

Formula

C27H21N3O4S

Mass

483.54

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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 - 1-benzopyran - Benzopyran - Benzodioxole - Aryl thioether - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - 1,2,4-triazole - Azole - Triazole - Lactone - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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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