Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NN=C(O2)C2=CC(Cl)=CC=C2)SC2=C1CCC2
InChIKey
InChIKey=IITMKGNXCWQQTN-UHFFFAOYSA-N
Formula
C20H18ClN3O4S2
Mass
463.95
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 Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous amides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - N-arylamide - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Vinylogous amide - Oxadiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen 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