Compound Identification
SMILES
CCCCN1\C(SC=C1C1=CC2=CC=CC=C2OC1=O)=N/N\C=C1\C=CC(=O)C(OCC)=C1
InChIKey
InChIKey=JERXNHZEIFATNU-YKTHMYFNSA-N
Formula
C25H25N3O4S
Mass
463.55
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
1-benzopyrans P-quinomethanes Pyranones and derivatives Benzenoids Thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - P-quinomethane - Quinomethane - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Ketone - Lactone - Cyclic ketone - Oxacycle - Hydrazone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - 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