Compound Identification
SMILES
CN1C(=S)N(N=C1C1=CC=CO1)[C@@H]1CC(=O)[C@@H]2OC[C@H]1O2
InChIKey
InChIKey=JFYUOYIRFCTBPK-NYRNMGCKSA-N
Formula
C13H13N3O4S
Mass
307.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Oxanes Triazoles Heteroaromatic compounds Furans 1,3-dioxolanes Ketones Oxacyclic compounds Azacyclic compounds Acetals Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxepane - Oxane - Meta-dioxolane - Azole - Furan - 1,2,4-triazole - Heteroaromatic compound - Ketone - Azacycle - Acetal - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
Not available