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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSCCC(=O)O)C1(CCCCC1)C#N

Isomeric SMILES

CN(C(=O)CSCCC(=O)O)C1(CCCCC1)C#N

InChI

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