p-Nitrobenzyl 2-(4-ethylthio-2-oxo-1-azetidinyl)-2-[2-ethoxyethylthio(thiocarbonyl)thio]acetate

HCID 13686092
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Basic information

Standard SMILES
CCOCCSC(=S)SC(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)CC1SCC
InChIKey
WHDWJZNBCWNXSK-UHFFFAOYSA-N
Molecular formula
C19H24N2O6S4
Average molar mass
504.7 g/mol

Names & identifiers

Preferred name
p-Nitrobenzyl 2-(4-ethylthio-2-oxo-1-azetidinyl)-2-[2-ethoxyethylthio(thiocarbonyl)thio]acetate
IUPAC
(4-nitrophenyl)methyl 2-(2-ethoxyethylsulfanylcarbothioylsulfanyl)-2-(2-ethylsulfanyl-4-oxoazetidin-1-yl)acetate

Names & synonyms

SCHEMBL10645036WHDWJZNBCWNXSK-UHFFFAOYSA-Np-Nitrobenzyl 2-(4-ethylthio-2-oxo-1-azetidinyl)-2-[2-ethoxyethylthio(thiocarbonyl)thio]acetate

Database identifiers

PubChem CID
13686092

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
210 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
14
Heavy atoms
31

Related reactions

3 records
New reaction record

Linked notes

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