Compound Identification
SMILES
CCOC(=O)C1=C(NC=C(C#N)C2=NC(=CS2)C2=CC=C(Br)C=C2)SC(C(C)=O)=C1C
InChIKey
InChIKey=BWPRMVIKTMTPLL-UHFFFAOYSA-N
Formula
C22H18BrN3O3S2
Mass
516.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Aminothiophenes
- Level 5 2-aminothiophenes
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Subclass
Aminothiophenes
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Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Aminothiophenes
Intermediate Tree Nodes
2-aminothiophenes
Direct Parent
3,4,5-trisubstituted-2-aminothiophenes
Alternative Parents
Thiophene carboxylic acids and derivatives Aryl alkyl ketones Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Nitriles Enamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - 2,4-disubstituted 1,3-thiazole - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Thiazole - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organic oxygen compound - Cyanide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position.
External Descriptors
Not available