diethyl 2-[2-(cyanomethylsulfanyl)ethanoylamino]propanedioate

Systemtic Name: diethyl 2-[2-(cyanomethylsulfanyl)ethanoylamino]propanedioate Openeye Name: diethyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]propanedioate CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]propanedioate Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]malonic acid diethyl ester Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CSCC#N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CSCC#N

InChI

InChI=1S/C11H16N2O5S/c1-3-17-10(15)9(11(16)18-4-2)13-8(14)7-19-6-5-12/h9H,3-4,6-7H2,1-2H3,(H,13,14)