Compound Identification
SMILES
CCOC1=CC=C(C=C1)C1=NN=C(SCC2=CC(=O)OC3=C2C=CC(C)=C3)N1C1=CC=CC=C1F
InChIKey
InChIKey=LYDCJFDGRGCJOL-UHFFFAOYSA-N
Formula
C27H22FN3O3S
Mass
487.55
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
Phenyl-1,2,4-triazoles 1-benzopyrans Phenoxy compounds Phenol ethers Pyranones and derivatives Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - Coumarin - Benzopyran - 1-benzopyran - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Pyranone - Halobenzene - Fluorobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Pyran - Monocyclic benzene moiety - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Triazole - Lactone - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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