3-isothiocyanato-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-2-one

Systemtic Name: 3-isothiocyanato-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-2-one Openeye Name: 3-isothiocyanato-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-2-one CAS Name: 3-isothiocyanato-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-azepanone IUPAC Name: 3-isothiocyanato-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one Traditional Name: 3-isothiocyanato-1-(2-keto-2-pyrrolidino-ethyl)azepan-2-one Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C=S)CC(=O)N2CCCC2

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C=S)CC(=O)N2CCCC2

InChI

InChI=1S/C13H19N3O2S/c17-12(15-6-3-4-7-15)9-16-8-2-1-5-11(13(16)18)14-10-19/h11H,1-9H2