Compound Identification
SMILES
Cc1cc(=O)oc2cc(OCCSC(=S)N3CCC(O)CC3)ccc12
InChIKey
InChIKey=MOHNRJWEVQPPQK-UHFFFAOYSA-N
Formula
C18H21NO4S2
Mass
379.49
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 Alkyl aryl ethers Piperidines Benzenoids Heteroaromatic compounds Dithiocarbamic acid esters Secondary alcohols Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Piperidine - Heteroaromatic compound - Dithiocarbamic acid ester - Secondary alcohol - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - 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