Compound Identification
SMILES
CN1C(CC(O)=O)=CC=C1C(CC1=CC=CS1)N=S(=O)=O
InChIKey
InChIKey=XEHABMYUYVJZPT-UHFFFAOYSA-N
Formula
C13H14N2O4S2
Mass
326.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
-
Level 5
N-substituted pyrroles
- Level 6 N-methylpyrroles
-
Level 5
N-substituted pyrroles
-
Subclass
Substituted pyrroles
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
N-substituted pyrroles
Direct Parent
N-methylpyrroles
Alternative Parents
Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-methylpyrrole - Heteroaromatic compound - Thiophene - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole.
External Descriptors
Not available