2-acetamido-2-[3,3-bis(ethylsulfanyl)propyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[3,3-bis(ethylsulfanyl)propyl]propanedioic acid Openeye Name: 2-acetamido-2-[3,3-bis(ethylsulfanyl)propyl]propanedioic acid CAS Name: 2-acetamido-2-[3,3-bis(ethylthio)propyl]propanedioic acid IUPAC Name: 2-acetamido-2-[3,3-bis(ethylsulfanyl)propyl]propanedioic acid Traditional Name: 2-acetamido-2-[3,3-bis(ethylthio)propyl]malonic acid Formula: C12H21NO5S2 MolecularWeight: 323.42884

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CCC(C(=O)O)(C(=O)O)NC(=O)C)SCC

Isomeric SMILES

CCSC(CCC(C(=O)O)(C(=O)O)NC(=O)C)SCC

InChI

InChI=1S/C12H21NO5S2/c1-4-19-9(20-5-2)6-7-12(10(15)16,11(17)18)13-8(3)14/h9H,4-7H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)