Compound Identification
SMILES
CCOC1=C2NC3=C(SC2=CC=C1)C(=O)OC1=CC=CC=C31
InChIKey
InChIKey=OLBXXJKZKFRCEB-UHFFFAOYSA-N
Formula
C17H13NO3S
Mass
311.36
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
Diarylthioethers 1-benzopyrans Benzothiazines Phenol ethers Alkyl aryl ethers Pyranones and derivatives 1,4-thiazines Primary aromatic amines Heteroaromatic compounds Vinylogous amides Lactones Oxacyclic compounds Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diarylthioether - Benzopyran - Benzothiazine - 1-benzopyran - Aryl thioether - Phenol ether - Alkyl aryl ether - Pyranone - Para-thiazine - Benzenoid - Primary aromatic amine - Pyran - Heteroaromatic compound - Vinylogous amide - Lactone - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Thioether - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - 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