[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl] thiocyanate

Systemtic Name: [2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl] thiocyanate Openeye Name: [2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl] thiocyanate CAS Name: thiocyanic acid [2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl] ester IUPAC Name: [2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl] thiocyanate Traditional Name: thiocyanic acid [2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl] ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC#N)CC(=O)N2CCCC2

Isomeric SMILES

C1CCN(C(=O)C(C1)SC#N)CC(=O)N2CCCC2

InChI

InChI=1S/C13H19N3O2S/c14-10-19-11-5-1-2-8-16(13(11)18)9-12(17)15-6-3-4-7-15/h11H,1-9H2