Compound Identification
SMILES
CCOC(=O)C1=CN=C(S1)C1=CC2=C(OC1=O)C=C(C=C2)N(CC)CC
InChIKey
InChIKey=ILBQCQXMUVMURY-UHFFFAOYSA-N
Formula
C19H20N2O4S
Mass
372.44
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 Thiazolecarboxylic acids and derivatives Dialkylarylamines Pyranones and derivatives 2,5-disubstituted thiazoles Benzenoids Heteroaromatic compounds Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - 2,5-disubstituted 1,3-thiazole - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Tertiary amine - Lactone - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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