Compound Identification
SMILES
COC1=CC2=C(C=C1)C=C(C1=CN3C(SC4=C3C=CC(F)=C4)=N1)C(=O)O2
InChIKey
InChIKey=RUEXYOOEBSBIHU-UHFFFAOYSA-N
Formula
C19H11FN2O3S
Mass
366.37
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 Benzothiazoles Anisoles Pyranones and derivatives Alkyl aryl ethers Aryl fluorides N-substituted imidazoles Thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - 1,3-benzothiazole - Anisole - Alkyl aryl ether - Pyranone - N-substituted imidazole - Aryl fluoride - Pyran - Aryl halide - Benzenoid - Thiazole - Imidazole - Azole - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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