Compound Identification
SMILES
COC1=CC2=C(C=C1)C(CSC1=NC(=CS1)C1=CC=CC=C1)=CC(=O)O2
InChIKey
InChIKey=QITJUMUKWXRYCK-UHFFFAOYSA-N
Formula
C20H15NO3S2
Mass
381.46
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 Anisoles Pyranones and derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Alkylarylthioethers Benzene and substituted derivatives Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Anisole - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - Azacycle - Oxacycle - Ether - Thioether - Sulfenyl compound - Organoheterocyclic compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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