Compound Identification
SMILES
OC(C1=CN=C(SC2=CC3=C(C=C2)C(=CC(=O)O3)C2=CSC=N2)S1)(C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=PFLZJEFMLSCPFH-UHFFFAOYSA-N
Formula
C18H8F6N2O3S3
Mass
510.44
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
Diarylthioethers 1-benzopyrans Thiophenol ethers Pyranones and derivatives 2,5-disubstituted thiazoles Tertiary alcohols Heteroaromatic compounds Fluorohydrins Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Aromatic alcohols Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diarylthioether - Benzopyran - 1-benzopyran - Aryl thioether - Thiophenol ether - 2,5-disubstituted 1,3-thiazole - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Tertiary alcohol - Thiazole - Fluorohydrin - Halohydrin - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Thioether - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alcohol - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Organosulfur compound - Hydrocarbon derivative - 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