methyl 1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(2-amino-2-keto-ethyl)thio]propanoyl]isonipecotic acid methyl ester Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCSCC(=O)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCSCC(=O)N

InChI

InChI=1S/C12H20N2O4S/c1-18-12(17)9-2-5-14(6-3-9)11(16)4-7-19-8-10(13)15/h9H,2-8H2,1H3,(H2,13,15)