Compound Identification
SMILES
CC1=CC=CC=C1[C@@H](N1CC[C@@H](O)C1)C1=CN=C(NC(=O)C2(CC2)C2=CC3=C(OCO3)C=C2)S1
InChIKey
InChIKey=KQIYNKFEZBASOK-WZONZLPQSA-N
Formula
C26H27N3O4S
Mass
477.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
N-arylamides Toluenes 2,5-disubstituted thiazoles Aralkylamines N-alkylpyrrolidines Cyclopropanecarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - N-arylamide - 2,5-disubstituted 1,3-thiazole - Toluene - Aralkylamine - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Thiazole - Pyrrolidine - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available