Compound Identification
SMILES
FC(F)(F)C1=CC(=O)OC2=C1C=C(CC1=CC=C(C=C1)S(=O)(=O)N1CCSC1)C=C2
InChIKey
InChIKey=LZMJILZYGZDEQP-UHFFFAOYSA-N
Formula
C20H16F3NO4S2
Mass
455.47
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 Benzenesulfonamides Benzenesulfonyl compounds Pyranones and derivatives Organosulfonamides Heteroaromatic compounds Sulfonyls Thiazolidines Lactones Dialkylthioethers Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzenesulfonamide - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiazolidine - Sulfonyl - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Alkyl halide - Organic nitrogen compound - Organic oxygen 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