Compound Identification
SMILES
OS(=O)(=O)CCCN1C(OC2=CC=CC=C12)=CC=C(C#N)C(=S)N1CCCC1
InChIKey
InChIKey=DJSWCEANRXZKFY-UHFFFAOYSA-N
Formula
C19H21N3O4S2
Mass
419.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolines
Alternative Parents
Benzenoids Thioamides Sulfonyls Pyrrolidines Organosulfonic acids Alkanesulfonic acids Tertiary amines Ketene acetals Thiocarboxylic acid amides Oxacyclic compounds Nitriles Azacyclic compounds Thiocarbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - Benzenoid - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thioamide - Alkanesulfonic acid - Ketene acetal or derivatives - Tertiary amine - Oxacycle - Azacycle - Thiocarboxylic acid amide - Carbonitrile - Nitrile - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Thiocarbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
External Descriptors
Not available