Compound Identification
SMILES
COC1=CC=CC=C1C1SCCN1C(=O)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=NITNWRTXHYZFDA-UHFFFAOYSA-N
Formula
C20H17NO4S
Mass
367.42
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 Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives Heteroaromatic compounds Thiazolidines Tertiary carboxylic acid amides Lactones Oxacyclic compounds Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Heteroaromatic compound - Carboxamide group - Lactone - Azacycle - Dialkylthioether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Thioether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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