Compound Identification
SMILES
CC1CCCCN1C(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=PAWFKMCEKJNAHP-UHFFFAOYSA-N
Formula
C18H17NO3S
Mass
327.4
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 N-acylpiperidines Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Pyranones and derivatives Benzenoids Heteroaromatic compounds Tertiary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - N-acyl-piperidine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Pyranone - Pyran - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Carboxamide group - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen 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