Compound Identification
SMILES
OC(=O)C(O)=O.CCOCCOC1=CC=C(CCNCC(CO)C2=CC=CS2)C=C1
InChIKey
InChIKey=UZDCCTCLEFEDLI-UHFFFAOYSA-N
Formula
C21H29NO7S
Mass
439.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenethylamines
Alternative Parents
Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Thiophenes Heteroaromatic compounds 1,3-aminoalcohols Dialkylamines Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Phenethylamine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - 1,3-aminoalcohol - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organic oxide - Amine - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
External Descriptors
Not available