Compound Identification
SMILES
CCOC(=O)C1=C(NC2=CC=CC=C2)SCC1=O
InChIKey
InChIKey=YRQHGQZNSXMEGA-UHFFFAOYSA-N
Formula
C13H13NO3S
Mass
263.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
Secondary alkylarylamines Vinylogous thioesters Vinylogous amides Enoate esters Dihydrothiophenes Ketene acetals Cyclic ketones Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Vinylogous thioester - 2,3-dihydrothiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Amino acid or derivatives - Cyclic ketone - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Organopnictogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors
Not available