Compound Identification
SMILES
CCOC(=O)C1=C(NC(=S)NC(=O)C2=NN(CC)C=C2Br)SC2=C1CCC(C)C2
InChIKey
InChIKey=QGVBASKCINOHEP-UHFFFAOYSA-N
Formula
C19H23BrN4O3S2
Mass
499.44
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
Pyrazole-5-carboxamides Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Thioureas Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazole-5-carboxamide - Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl halide - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Carboxylic acid ester - Thiourea - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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