Compound Identification
SMILES
CCOC1=CC=CC2=C1OC(=O)C(=C2)C1=CSC(=N1)C(=CC1=CC=CO1)C#N
InChIKey
InChIKey=ICWPPAWZPSLCMI-UHFFFAOYSA-N
Formula
C21H14N2O4S
Mass
390.41
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 Pyranones and derivatives Alkyl aryl ethers 2,4-disubstituted thiazoles Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Azole - Furan - Thiazole - Heteroaromatic compound - Lactone - Nitrile - Carbonitrile - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Organopnictogen compound - Organic nitrogen 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