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

Systemtic Name: ethyl 1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(2-amino-2-keto-ethyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4S/c1-2-19-13(18)10-3-6-15(7-4-10)12(17)5-8-20-9-11(14)16/h10H,2-9H2,1H3,(H2,14,16)