Compound Identification
SMILES
O=C(NCC1=CC2=C(OCO2)C=C1)C1=CSC2=CC=CC=C12
InChIKey
InChIKey=VIBIOHCYKVCPAU-UHFFFAOYSA-N
Formula
C17H13NO3S
Mass
311.36
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
1-benzothiophenes Thiophene carboxamides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Benzothiophene - 1-benzothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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