[(2S,3R)-2-thiocyanatooctan-3-yl] ethanoate

Systemtic Name: [(2S,3R)-2-thiocyanatooctan-3-yl] ethanoate Openeye Name: [(1R)-1-[(1S)-1-thiocyanatoethyl]hexyl] acetate CAS Name: acetic acid [(2S,3R)-2-thiocyanatooctan-3-yl] ester IUPAC Name: [(2S,3R)-2-thiocyanatooctan-3-yl] acetate Traditional Name: acetic acid [(1R)-1-[(1S)-1-thiocyanatoethyl]hexyl] ester Formula: C11H19NO2S MolecularWeight: 229.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)SC#N)OC(=O)C

Isomeric SMILES

CCCCC[C@H]([C@H](C)SC#N)OC(=O)C

InChI

InChI=1S/C11H19NO2S/c1-4-5-6-7-11(14-10(3)13)9(2)15-8-12/h9,11H,4-7H2,1-3H3/t9-,11+/m0/s1