methyl 3-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1(CCCCC1)C#N

Isomeric SMILES

COC(=O)CCSCC(=O)NC1(CCCCC1)C#N

InChI

InChI=1S/C13H20N2O3S/c1-18-12(17)5-8-19-9-11(16)15-13(10-14)6-3-2-4-7-13/h2-9H2,1H3,(H,15,16)