Compound Identification
SMILES
O=C1OC2=C(C=C1)C=C(NC=C(C#N)C1=NC(=CS1)C1=CC3=C(OCO3)C=C1)C=C2
InChIKey
InChIKey=VLWAQUSQTOTEDM-UHFFFAOYSA-N
Formula
C22H13N3O4S
Mass
415.42
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 Benzodioxoles Pyranones and derivatives 2,4-disubstituted thiazoles Benzenoids Heteroaromatic compounds Lactones Secondary amines Oxacyclic compounds Nitriles Acetals Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - 2,4-disubstituted 1,3-thiazole - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Enamine - Acetal - Carbonitrile - Nitrile - Secondary amine - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - 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