Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2C3CCC(O3)C2C(O)=O)SC=C1C1=CC(Br)=CC=C1
InChIKey
InChIKey=HTNXRTIQLQKXHW-UHFFFAOYSA-N
Formula
C21H20BrNO6S
Mass
494.36
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
N-arylamides Bromobenzenes Aryl bromides Dicarboxylic acids and derivatives Vinylogous amides Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylamide - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Oxolane - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Dialkyl ether - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - 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