Compound Identification
SMILES
CCOC(=O)[C@@H]1CCCN(C1)C(=O)C1=CC2=C(S1)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=RXRWDNBLVWPEHQ-GFCCVEGCSA-N
Formula
C20H19NO5S
Mass
385.43
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 Piperidinecarboxylic acids N-acylpiperidines Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Pyranones and derivatives Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - N-acyl-piperidine - Piperidinecarboxylic acid - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Pyranone - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Carboxylic acid ester - Lactone - Carboxamide group - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen 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