Compound Identification
SMILES
COC1=CC=C(C=C1)N(CC1=CC=CS1)S(=O)(=O)C1=CC2=C(OC(=O)C=C2)C=C1
InChIKey
InChIKey=JYCMOTUIDNEVMQ-UHFFFAOYSA-N
Formula
C21H17NO5S2
Mass
427.49
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 Sulfanilides Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Organosulfonamides Thiophenes Aminosulfonyl compounds Heteroaromatic compounds Lactones Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Sulfanilide - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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