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

Systemtic Name: 3-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[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:

C1CCCC(CC1)(C#N)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H20N2O3S/c14-10-13(6-3-1-2-4-7-13)15-11(16)9-19-8-5-12(17)18/h1-9H2,(H,15,16)(H,17,18)