Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1=C(N2C(SC1)C(NC(=O)COC1=CC=CC=C1)C2=O)C(O)=O

InChIKey

InChIKey=WJJYDNKVEGMTBM-UHFFFAOYSA-N

Formula

C18H18N2O7S

Mass

406.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems - Cephalosporins

Direct Parent

Cephalosporin 3'-esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Hemithioaminal - Ether - Thioether - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.

External Descriptors

Not available

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