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4-(oxan-2-ylmethylcarbamothioylsulfanyl)butanoic acid

4-(oxan-2-ylmethylcarbamothioylsulfanyl)butanoic acid

Systemtic Name:4-(oxan-2-ylmethylcarbamothioylsulfanyl)butanoic acid
Openeye Name:4-(tetrahydropyran-2-ylmethylcarbamothioylsulfanyl)butanoic acid
CAS Name:4-[[(2-oxanylmethylamino)-sulfanylidenemethyl]thio]butanoic acid
IUPAC Name:4-(oxan-2-ylmethylcarbamothioylsulfanyl)butanoic acid
Traditional Name:4-(tetrahydropyran-2-ylmethylthiocarbamoylthio)butyric acid
Formula: C11H19NO3S2
MolecularWeight: 277.40346
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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CNC(=S)SCCCC(=O)O


Isomeric SMILES

C1CCOC(C1)CNC(=S)SCCCC(=O)O


InChI

InChI=1S/C11H19NO3S2/c13-10(14)5-3-7-17-11(16)12-8-9-4-1-2-6-15-9/h9H,1-8H2,(H,12,16)(H,13,14)


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