Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(CC(=O)C(=CC2C(C)=NN(C2=O)C2=CC=CC=C2)C#N)S1
InChIKey
InChIKey=LAIYIIONQQBFQW-UHFFFAOYSA-N
Formula
C26H25N3O6S
Mass
507.56
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
Pyrazolones Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Acryloyl compounds Ketones Carboxylic acid esters Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Pyrazoline - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Ketone - Carboxylic acid ester - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - 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