Compound Identification
SMILES
CCC(CC1=CC2=C(OC(O2)(C(O)=O)C(O)=O)C=C1)NCC(O)C1=CC(SC)=CC=C1
InChIKey
InChIKey=NRFVIXMWZDXJRG-UHFFFAOYSA-N
Formula
C22H25NO7S
Mass
447.5
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
Thiophenol ethers Alkylarylthioethers Ketals Aralkylamines Dicarboxylic acids and derivatives Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Amino acids Sulfenyl compounds Oxacyclic compounds Dialkylamines Carboxylic acids Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl thioether - Thiophenol ether - Ketal - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Secondary amine - Thioether - Sulfenyl compound - Hydrocarbon derivative - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic alcohol - 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