2-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1(CCCCCC1)C#N

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1(CCCCCC1)C#N

InChI

InChI=1S/C13H20N2O3S/c1-10(12(17)18)19-8-11(16)15-13(9-14)6-4-2-3-5-7-13/h10H,2-8H2,1H3,(H,15,16)(H,17,18)