Compound Identification
SMILES
O=C(OCC#CCSC1=NN=C(O1)C1=CC=CO1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=VDZKMSWCYQTWLN-UHFFFAOYSA-N
Formula
C20H12N2O6S
Mass
408.38
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 Alkylarylthioethers Benzenoids 1,3,4-oxadiazoles Furans Heteroaromatic compounds Carboxylic acid esters Lactones Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Pyranone - Alkylarylthioether - Pyran - Benzenoid - 1,3,4-oxadiazole - Azole - Furan - Oxadiazole - Heteroaromatic compound - Carboxylic acid ester - Lactone - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organopnictogen 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