Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC(=C1)C(N)CC(=O)OC(C)(C)C

InChIKey

InChIKey=APMABYCLHFZXCU-UHFFFAOYSA-N

Formula

C14H21NO2S

Mass

267.39

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Aryl thioether - Thiophenol ether - Fatty acid ester - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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