Structure Information
Structure

Compound Identification

SMILES

NCCSCC1=C(SC2=C(N3C(SC2)[C@H](NC(=O)C(=N/O)\C2=C(Cl)SC(N)=N2)C3=O)C(O)=O)SC(SCCN)=N1

InChIKey

InChIKey=JIHSMGCFJYLXNW-SMVRRGSSSA-N

Formula

C20H23ClN8O5S6

Mass

683.27

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems

Direct Parent

Cephalosporins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Vinylogous thioester - Heteroaromatic compound - Azole - Ketoxime - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Thioenolether - Thioether - Hemithioaminal - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Dialkylthioether - Organooxygen compound - Primary aliphatic amine - Organohalogen compound - Amine - Carbonyl group - Organochloride - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.

External Descriptors

Not available

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