Compound Identification
SMILES
CN1\C(OC2=CC=CC=C12)=C/C(/C)=C1\OC(=S)N(CCCS(O)(=O)=O)C1=O
InChIKey
InChIKey=QUHCRSBMZCUCMH-AIWUCEOPSA-N
Formula
C17H18N2O6S2
Mass
410.46
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
Oxazolidinones Benzenoids Thiocarbamic acid esters Sulfonyls Organosulfonic acids Alkanesulfonic acids Tertiary amines Ketene acetals Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - Oxazolidinone - Benzenoid - Oxazolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiocarbamic acid ester - Alkanesulfonic acid - Ketene acetal or derivatives - Thiocarbamic acid derivative - Amino acid or derivatives - Tertiary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - 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