Compound Identification
SMILES
COC1=CC=CC=C1CCNC(=O)C1=C(Cl)C2=C(S1)C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=NJAIITLUJSEEDZ-UHFFFAOYSA-N
Formula
C18H15ClN2O4S
Mass
390.84
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 carboxamides 2-heteroaryl carboxamides Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Phenol ether - Methoxybenzene - 2-heteroaryl carboxamide - Anisole - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Thiophene - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic oxide - 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