Compound Identification
SMILES
COC(=O)/C1=C/N(CC2=C(Cl)C3=CC=CC=C3S2)C(\C=C(/C=C\1/C(=O)OC)\C1=CC=C(CO)C=C1)C1CC1
InChIKey
InChIKey=RXGBUQLPPBPCBO-AWOUTHJGSA-N
Formula
C30H28ClNO5S
Mass
550.07
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
Benzyl alcohols Aralkylamines Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Thiophenes Methyl esters Heteroaromatic compounds Enoate esters Trialkylamines Amino acids and derivatives Allylamines Azacyclic compounds Enamines Primary alcohols Organic oxides Aromatic alcohols Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Benzyl alcohol - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Allylamine - Carboxylic acid derivative - Enamine - Aromatic alcohol - Organohalogen compound - Organochloride - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - 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