Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C(S1)C1=CC2=C(OC1=O)C=C(C=C2)N(CC)CC
InChIKey
InChIKey=OURDGOQKLWJLOR-UHFFFAOYSA-N
Formula
C20H22N2O4S
Mass
386.47
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 2,4,5-trisubstituted thiazoles Pyranones and derivatives 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 - 2,4,5-trisubstituted 1,3-thiazole - Tertiary aliphatic/aromatic amine - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Tertiary amine - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Azacycle - 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