Compound Identification
SMILES
CCOC(=O)C1=C(C)C2=C(NC(C)=C(C2C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OC)S1
InChIKey
InChIKey=VTMKELVCPDVDNL-UHFFFAOYSA-N
Formula
C20H20N2O6S
Mass
416.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyridines
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Nitrobenzenes Thiophene carboxylic acids and derivatives Nitroaromatic compounds Vinylogous amides Enoate esters Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Thienopyridine - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Heteroaromatic compound - Thiophene - Methyl ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Organic oxygen compound - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors
Not available