Compound Identification
SMILES
COC(=O)CCCOC1=CC=C(C=C1)C1=C(CC2=CC=C(CN3CCCC3)C=C2)C2=CC=CC=C2S1
InChIKey
InChIKey=LXPHHYFDWFOPMJ-UHFFFAOYSA-N
Formula
C31H33NO3S
Mass
499.67
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
Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Fatty acid methyl esters Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Methyl esters Heteroaromatic compounds Thiophenes Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Phenylmethylamine - Phenoxy compound - Phenol ether - Benzylamine - Alkyl aryl ether - Fatty acid methyl ester - Aralkylamine - Fatty acid ester - Benzenoid - N-alkylpyrrolidine - Fatty acyl - Monocyclic benzene moiety - Pyrrolidine - Thiophene - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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