diethyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]propanedioate

Systemtic Name: diethyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]propanedioate Openeye Name: diethyl 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]propanedioate CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]propanedioate Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]malonic acid diethyl ester Formula: C12H20N2O6S MolecularWeight: 320.362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CCSCC(=O)N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C12H20N2O6S/c1-3-19-11(17)10(12(18)20-4-2)14-9(16)5-6-21-7-8(13)15/h10H,3-7H2,1-2H3,(H2,13,15)(H,14,16)