Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1)C(=O)N[C@H]1CCSC1=O

InChIKey

InChIKey=BWQRHCMYWYVQPV-NSHDSACASA-N

Formula

C13H15NO4S

Mass

281.33

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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 - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Phenol ether - Benzoyl - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carbothioic s-lactone - Thiolane - Thiolactone - Secondary carboxylic acid amide - Carboxamide group - Thiocarboxylic acid ester - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Ether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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