Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(NC(=O)CSS(O)(=O)=O)S1
InChIKey
InChIKey=JSEPBNSTVBFHSQ-UHFFFAOYSA-N
Formula
C13H17NO8S3
Mass
411.46
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 S-alkyl thiosulfates Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - N-arylamide - S-alkyl thiosulfate - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Sulfenyl compound - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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