Compound Identification
SMILES
CN(C)C1=C(Cl)C(=O)OC2=C1C=CC1=C2SC(=N1)C1=CC=CC=C1
InChIKey
InChIKey=POMFUZJCZBRCNH-UHFFFAOYSA-N
Formula
C18H13ClN2O2S
Mass
356.82
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 Benzothiazoles Dialkylarylamines Pyranones and derivatives Aryl chlorides Benzene and substituted derivatives Vinylogous amides Thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Thiazole - Heteroaromatic compound - Vinylogous amide - Azole - Tertiary amine - Lactone - Azacycle - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - 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