Compound Identification
SMILES
COC(=O)C1=C(N)C2=C(S1)C=NN(C1CCCCO1)C2=O
InChIKey
InChIKey=BTVOTJVYDVZFQX-UHFFFAOYSA-N
Formula
C13H15N3O4S
Mass
309.34
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
Pyridazinones Oxanes Aminothiophenes Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - Pyridazinone - Aminothiophene - Oxane - Pyridazine - Heteroaromatic compound - Methyl ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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