Compound Identification
SMILES
COC1=CC2=C(C3=C1C=CS3)[N+](CCCS([O-])(=O)=O)=C(S2)C=C(C)C=C1OC2=C(C=C(C=C2)C2=CC=CC=C2)N1CCCS(O)(=O)=O
InChIKey
InChIKey=WUGXMTNVGOYFLG-UHFFFAOYSA-N
Formula
C33H32N2O8S4
Mass
712.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolines
Alternative Parents
1-benzothiophenes Benzothiazoles Anisoles Alkyl aryl ethers Benzene and substituted derivatives Thiophenes Thiazoles Sulfonyls Organosulfonic acids Alkanesulfonic acids Heteroaromatic compounds Ketene acetals Oxacyclic compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Amines Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - 1,3-benzothiazole - Benzothiophene - Benzoxazoline - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Thiophene - Alkanesulfonic acid - Ketene acetal or derivatives - Azacycle - Ether - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
External Descriptors
Not available