Compound Identification
SMILES
CC1=C(SC(N)=C1C#N)C1=CC2=C(COC2)C=C1
InChIKey
InChIKey=DAUJMWLIWGLBPR-UHFFFAOYSA-N
Formula
C14H12N2OS
Mass
256.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Benzenoids Heteroaromatic compounds Oxacyclic compounds Nitriles Dialkyl ethers Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - 3,4,5-trisubstituted-2-aminothiophene - Benzenoid - 2-aminothiophene - Thiophene - Heteroaromatic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
Not available