Compound Identification
SMILES
CN(C)CC1=C(OCC2=CC=CS2)C=CC2=C1ON=C2CCC1CCN(CC1)C(=O)OC(C)(C)C
InChIKey
InChIKey=WYQXISZZWJMBBK-UHFFFAOYSA-N
Formula
C27H37N3O4S
Mass
499.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzisoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzisoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzisoxazoles
Alternative Parents
Piperidinecarboxylic acids Phenol ethers Aralkylamines Alkyl aryl ethers Thiophenes Isoxazoles Heteroaromatic compounds Carbamate esters Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Piperidinecarboxylic acid - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Piperidine - Azole - Isoxazole - Heteroaromatic compound - Carbamic acid ester - Thiophene - Tertiary aliphatic amine - Tertiary amine - Ether - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
External Descriptors
Not available