Compound Identification
SMILES
CC1=C(C)C=C(SC2=C(SC3=C(Cl)C=C(F)C=C3)C3=CC=CC=C3OC2=O)C=C1
InChIKey
InChIKey=KOPJJVIEDZIZRM-UHFFFAOYSA-N
Formula
C23H16ClFO2S2
Mass
442.95
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 o-Xylenes Thiophenol ethers Pyranones and derivatives Chlorobenzenes Fluorobenzenes Vinylogous thioesters Aryl chlorides Aryl fluorides Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Organochlorides Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diarylthioether - Benzopyran - 1-benzopyran - Aryl thioether - O-xylene - Xylene - Thiophenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen 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