Compound Identification
SMILES
CC1=CC(C=NNC2=C(C=CC=N2)[N+]([O-])=O)=C(C)N1C1=C(C(O)=O)C2=C(CCCC2)S1
InChIKey
InChIKey=RVMRNDXELSKEBP-UHFFFAOYSA-N
Formula
C21H21N5O4S
Mass
439.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Thiophene carboxylic acids and derivatives
- Level 5 Thiophene carboxylic acids
-
Subclass
Thiophene carboxylic acids and derivatives
-
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
Alternative Parents
Nitroaromatic compounds Substituted pyrroles Pyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Hydrazones Organic oxoazanium compounds Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroaromatic compound - Thiophene carboxylic acid - Pyridine - Substituted pyrrole - Imidolactam - Pyrrole - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.
External Descriptors
Not available