Compound Identification
SMILES
CC(=N)N1CCC[C@H]1COC1=CC=C(C=C1)C(CC1=CC2=C(S1)C=CC(=C2)C(N)=N)C(O)=O
InChIKey
InChIKey=LWVOATWCBDAHLT-YDNXMHBPSA-N
Formula
C25H28N4O3S
Mass
464.58
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 Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Phenoxy compound - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Thiophene - Heteroaromatic compound - Carboximidamide - Amidine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Carboxylic acid amidine - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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