Compound Identification
SMILES
FC1=CC=CC=C1CN1C(=O)SC(=CC2=CC3=CC=CC=C3OC2=O)C1=O
InChIKey
InChIKey=NKFQTJDDJBPOIY-UHFFFAOYSA-N
Formula
C20H12FNO4S
Mass
381.38
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 Thiazolidinediones Pyranones and derivatives Fluorobenzenes Aryl fluorides Dicarboximides Heteroaromatic compounds Thiocarbamic acid derivatives Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Fluorobenzene - Halobenzene - Pyranone - Thiazolidinedione - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen 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