Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=O)N=C2SC(=NN2C1=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=KCWNDBNTIRMPGD-UHFFFAOYSA-N
Formula
C18H12N4O5S
Mass
396.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Triazinones Alkyl aryl ethers 1,3,5-triazines Thiadiazoles Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Triazinone - 1,3,5-triazine - Monocyclic benzene moiety - Benzenoid - Triazine - Heteroaromatic compound - Azole - Thiadiazole - Azacycle - Oxacycle - Ether - Acetal - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available