Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC=CC2=C1SC(C(O)=O)=C2N(C(C)C)C(=O)C1CCC(C)CC1
InChIKey
InChIKey=PDVLTMDXEAWFBQ-UHFFFAOYSA-N
Formula
C27H31NO4S
Mass
465.61
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
Thiophene carboxylic acids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Phenoxy compound - Anisole - Phenol ether - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Vinylogous amide - Tertiary amine - Amino acid - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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