chempirical

Moguisteine

C16H21NO5SCAS 119637-67-1339.41 g/mol

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AmideEsterEtherSulfide

Properties

Molecular formula
C16H21NO5S
Molar mass
339.41 g/mol
Exact mass
339.1140 Da
logP
1.93Crippen estimate
Polar surface area
65.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
119637-67-1
SMILES
CCOC(=O)CC(=O)N1CCSC1COc1ccccc1OC
InChIKey
WSYVIAQNTFPTBI-UHFFFAOYSA-N
InChI
InChI=1S/C16H21NO5S/c1-3-21-16(19)10-14(18)17-8-9-23-15(17)11-22-13-7-5-4-6-12(13)20-2/h4-7,15H,3,8-11H2,1-2H3

Weigh it out

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Names and synonyms

3 names
  • 3-Thiazolidinepropanoic acid, 2-[(2-methoxyphenoxy)methyl]-β-oxo-, ethyl ester
  • 3-Thiazolidinepropanoic acid, 2-[(2-methoxyphenoxy)methyl]-β-oxo-, ethyl ester, (±)-
  • BBR 2173

Work with Moguisteine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook