Compound Identification
SMILES
CCOC1=CC=CC2=C1OC(=O)C(=C2)C1=CSC(NC(=O)CCC(=O)NC2CCCC2)=N1
InChIKey
InChIKey=COZWTJPIZZVEET-UHFFFAOYSA-N
Formula
C23H25N3O5S
Mass
455.53
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 Phenol ethers N-arylamides Pyranones and derivatives Alkyl aryl ethers 2,4-disubstituted thiazoles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Phenol ether - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyranone - Fatty acyl - Benzenoid - Fatty amide - Pyran - N-acyl-amine - Heteroaromatic compound - Azole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Lactone - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - 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