Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(NC(=O)C2=CC(=NN2CC2=CC=CC=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=XQXWRUCGIYBYFB-UHFFFAOYSA-N
Formula
C22H22N4O7S
Mass
486.5
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 2-heteroaryl carboxamides Nitroaromatic compounds Benzene and substituted derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic salts Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - Nitroaromatic compound - Pyrazole-5-carboxamide - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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