Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OCC1=NNC(=S)N1C1=CC=CC=C1)=C2C
InChIKey
InChIKey=AVQOAHNCBMYJDR-UHFFFAOYSA-N
Formula
C20H17N3O3S
Mass
379.43
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 Phenol ethers Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenyl-1,2,4-triazole - Phenyltriazole - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Lactone - Azacycle - Ether - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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