Compound Identification
SMILES
COC1=CC2=C(C=C1)C(CSC1=NC3=C(O1)C=C(Cl)C=C3)=CC(=O)O2
InChIKey
InChIKey=GPJUKXJHELHPBN-UHFFFAOYSA-N
Formula
C18H12ClNO4S
Mass
373.81
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 Benzoxazoles Anisoles Pyranones and derivatives Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Oxazoles Heteroaromatic compounds Lactones Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzoxazole - Anisole - Aryl thioether - Alkyl aryl ether - Pyranone - Alkylarylthioether - Benzenoid - Pyran - Aryl chloride - Aryl halide - Heteroaromatic compound - Oxazole - Azole - Lactone - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Thioether - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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