3-(oxolan-2-ylmethylcarbamothioylsulfanyl)propanoic acid

Systemtic Name: 3-(oxolan-2-ylmethylcarbamothioylsulfanyl)propanoic acid Openeye Name: 3-(tetrahydrofuran-2-ylmethylcarbamothioylsulfanyl)propanoic acid CAS Name: 3-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-(oxolan-2-ylmethylcarbamothioylsulfanyl)propanoic acid Traditional Name: 3-(tetrahydrofurfurylthiocarbamoylthio)propionic acid Formula: C9H15NO3S2 MolecularWeight: 249.3503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)SCCC(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=S)SCCC(=O)O

InChI

InChI=1S/C9H15NO3S2/c11-8(12)3-5-15-9(14)10-6-7-2-1-4-13-7/h7H,1-6H2,(H,10,14)(H,11,12)