Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CC(C)N1CCC(=CC1)C1=CSC2=C1C=CC=C2[N+]([O-])=O
InChIKey
InChIKey=ZCNIQWWPYORILA-WLHGVMLRSA-N
Formula
C20H22N2O6S
Mass
418.46
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
Nitroaromatic compounds Unsaturated fatty acids Benzenoids Dicarboxylic acids and derivatives Hydropyridines Thiophenes Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboxylic acids Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic cations
Molecular Framework
Not available
Substituents
1-benzothiophene - Nitroaromatic compound - Dicarboxylic acid or derivatives - Hydropyridine - Fatty acyl - Fatty acid - Unsaturated fatty acid - Benzenoid - Thiophene - Heteroaromatic compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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