Compound Identification
SMILES
CCOC(=O)C1=C(NC(=S)N2CCCN(CC2)C(C)=O)C=C(S1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XSSCQBJDJXQDNL-UHFFFAOYSA-N
Formula
C21H24ClN3O3S2
Mass
466.01
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
2,3,5-trisubstituted thiophenes 1,4-diazepanes Chlorobenzenes Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Thioureas Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - 1,4-diazepane - Halobenzene - Diazepane - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Thiourea - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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