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

Systemtic Name: 3-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSCCC(=O)O

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C12H18N2O3S/c13-9-12(5-2-1-3-6-12)14-10(15)8-18-7-4-11(16)17/h1-8H2,(H,14,15)(H,16,17)