Compound Identification
SMILES
CC1(C)OC2=C(SC(=C2)[N+]([O-])=O)[C@H]([C@@H]1O)N1CCCC1=O
InChIKey
InChIKey=YGQAZEQJVMWVPB-PWSUYJOCSA-N
Formula
C13H16N2O5S
Mass
312.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrans
Alternative Parents
2-nitrothiophenes 2,3,5-trisubstituted thiophenes Nitroaromatic compounds Alkyl aryl ethers Pyrrolidine-2-ones Pyrans N-alkylpyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-nitrothiophene - Nitrothiophene - Thienopyran - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - N-alkylpyrrolidine - 2-pyrrolidone - Pyran - Pyrrolidone - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrolidine - Carboxamide group - Secondary alcohol - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic salt - Alcohol - Organic nitrogen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
External Descriptors
Not available