Compound Identification
SMILES
O=C1OC2=CC=CC=C2C2=C1C1O[C@](CC3=C1C=CC(=C3)C#N)(O2)C1=CSC=C1
InChIKey
InChIKey=AHTHTDKXOPWVOK-GWQXNCQPSA-N
Formula
C23H13NO4S
Mass
399.42
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
2-benzopyrans 1-benzopyrans Pyranones and derivatives Ketals Benzenoids Vinylogous esters Thiophenes Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Isochromane - 1-benzopyran - 2-benzopyran - Pyranone - Ketal - Pyran - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous ester - Lactone - Acetal - Nitrile - Carbonitrile - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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