Compound Identification
SMILES
CC1=CC=C(O1)C1N(C(=O)C(=O)C1=C(O)C1=CC2=C(OCCO2)C=C1)C1=NN=C(C)S1
InChIKey
InChIKey=LGNUAURTZHDUBX-UHFFFAOYSA-N
Formula
C21H17N3O6S
Mass
439.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
-
Class
Benzodioxanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Para dioxins Benzenoids Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Furans Heteroaromatic compounds Cyclic ketones Lactams Oxacyclic compounds Azacyclic compounds Enols Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Alkyl aryl ether - Para-dioxin - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Azole - Furan - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiadiazole - Vinylogous acid - Cyclic ketone - Carboxamide group - Lactam - Ketone - Carboxylic acid derivative - Azacycle - Oxacycle - Enol - Ether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available