Compound Identification
SMILES
CN1CCCC11OC(=S)C2=CC=CC=C12
InChIKey
InChIKey=XRMFQXXPQFUPQI-UHFFFAOYSA-N
Formula
C12H13NOS
Mass
219.3
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
Isobenzofurans N-alkylpyrrolidines Benzenoids Carbothioic O-lactones Thioesters Carbothioic O-esters Oxacyclic compounds Azacyclic compounds Thiocarbonyl compounds Organooxygen compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Isobenzofuran - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Carbothioic o-lactone - Carbothioic o-ester - Thiocarboxylic acid ester - Azacycle - Thiocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Thiocarbonyl group - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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