Compound Identification
SMILES
CC1=C(Cl)C=C2C(CSC3=NNC(=O)N3C[C@H]3CCCO3)=CC(=O)OC2=C1
InChIKey
InChIKey=GSLSGFXUTPVLIH-GFCCVEGCSA-N
Formula
C18H18ClN3O4S
Mass
407.87
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 Aryl chlorides Benzenoids Triazoles Oxolanes Heteroaromatic compounds Lactones Dialkyl ethers Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl thioether - Pyranone - Alkylarylthioether - Aryl chloride - Aryl halide - Benzenoid - Pyran - Azole - Heteroaromatic compound - Oxolane - 1,2,4-triazole - Lactone - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Oxacycle - Dialkyl ether - Ether - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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