Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)C1=CC=CS1)C(=O)O2
InChIKey
InChIKey=HSYRYXPRQYPBBQ-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 Thiophene carboxylic acids and derivatives Dialkylarylamines Aryl ketones Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Thiophene carboxylic acid or derivatives - Aryl ketone - Dialkylarylamine - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Lactone - Ketone - Organoheterocyclic compound - Oxacycle - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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