Compound Identification
SMILES
NC(=N)C1=CC2=C(SC(CC(C(O)=O)C3=CC=C(O[C@H]4CCNC4)C=C3)=C2)C=C1
InChIKey
InChIKey=ZUAMJATYCOERLH-KKFHFHRHSA-N
Formula
C22H23N3O3S
Mass
409.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophenes
Alternative Parents
Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Pyrrolidines Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Phenoxy compound - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrolidine - Thiophene - Amino acid or derivatives - Amino acid - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Carboximidamide - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available