Compound Identification
SMILES
CN1CC(OC(=O)C2=CC=C(C)S2)[N+]([O-])(C1)C1=NC=C(Br)S1
InChIKey
InChIKey=DOVMNTAOQVKJKO-UHFFFAOYSA-N
Formula
C13H14BrN3O3S2
Mass
404.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxylic acids and derivatives
Alternative Parents
2,5-disubstituted thiophenes 2,5-disubstituted thiazoles Aryl bromides Imidazolidines Heteroaromatic compounds Carboxylic acid esters Trisubstituted amine oxides and derivatives Azacyclic compounds Organooxygen compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - 2,5-disubstituted 1,3-thiazole - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Imidazolidine - Carboxylic acid ester - N-oxide - Azacycle - Carboxylic acid derivative - Trisubstituted n-oxide - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
External Descriptors
Not available