[(2S)-1-(cyanoamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl] azetidine-1-carboxylate

Systemtic Name: [(2S)-1-(cyanoamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl] azetidine-1-carboxylate Openeye Name: [(1S)-2-(cyanoamino)-1-(cyclohexylmethyl)-2-oxo-ethyl] azetidine-1-carboxylate CAS Name: 1-azetidinecarboxylic acid [(2S)-1-(cyanoamino)-3-cyclohexyl-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyanoamino)-3-cyclohexyl-1-oxopropan-2-yl] azetidine-1-carboxylate Traditional Name: azetidine-1-carboxylic acid [(1S)-2-(cyanoamino)-1-(cyclohexylmethyl)-2-keto-ethyl] ester Formula: C14H21N3O3 MolecularWeight: 279.33484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC#N)OC(=O)N2CCC2

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NC#N)OC(=O)N2CCC2

InChI

InChI=1S/C14H21N3O3/c15-10-16-13(18)12(9-11-5-2-1-3-6-11)20-14(19)17-7-4-8-17/h11-12H,1-9H2,(H,16,18)/t12-/m0/s1