Compound Identification
SMILES
O=C1OC2=C(C=CC3=C2C=CS3)C=C1C#N
InChIKey
InChIKey=BMASHZVPBMOCBP-UHFFFAOYSA-N
Formula
C12H5NO2S
Mass
227.24
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 1-benzothiophenes Pyranones and derivatives Benzenoids Thiophenes Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzothiophene - 1-benzothiophene - Pyranone - Pyran - Benzenoid - Thiophene - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic oxide - Organopnictogen compound - Cyanide - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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