Compound Identification
SMILES
CCN1C(SCC2=CC(=O)OC3=C2C=CC(C)=C3C)=NN=C1C1=CC=CC=C1OC
InChIKey
InChIKey=VBCGZIIWOCUGOU-UHFFFAOYSA-N
Formula
C23H23N3O3S
Mass
421.52
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
Phenyl-1,2,4-triazoles 1-benzopyrans Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Lactones Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - Coumarin - 1-benzopyran - Benzopyran - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Anisole - Pyranone - Alkylarylthioether - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - 1,2,4-triazole - Triazole - Heteroaromatic compound - Azole - Lactone - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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