Compound Identification
SMILES
CC1=CC2=C(OC(=O)C3=C2SC(=C3)C(=O)NCCCN2CCCCCC2)C=C1
InChIKey
InChIKey=AUKMINRWXGQJRA-UHFFFAOYSA-N
Formula
C22H26N2O3S
Mass
398.52
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
1-benzopyrans Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Pyranones and derivatives Azepanes Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Lactones Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Pyranone - Azepane - Benzenoid - Pyran - Heteroaromatic compound - Thiophene - Carboxamide group - Lactone - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - 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