Compound Identification
SMILES
C[C@](O)(CSC1=CC=C(N)C=C1)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
InChIKey
InChIKey=OGWOBSPCPTXWDW-IBGZPJMESA-N
Formula
C20H17F3N2O4S
Mass
438.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
1-benzopyrans Thiophenol ethers Aniline and substituted anilines N-arylamides Pyranones and derivatives Alkylarylthioethers Heteroaromatic compounds Tertiary alcohols Lactones Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Sulfenyl compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Thiophenol ether - N-arylamide - Aniline or substituted anilines - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactone - Sulfenyl compound - Organoheterocyclic compound - Thioether - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic nitrogen compound - Alcohol - Organic oxide - Amine - Alkyl fluoride - Alkyl halide - 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