[(2R)-1-phenylsulfanyl-3-thiocyanato-propan-2-yl] ethanoate

Systemtic Name: [(2R)-1-phenylsulfanyl-3-thiocyanato-propan-2-yl] ethanoate Openeye Name: [(1R)-1-(phenylsulfanylmethyl)-2-thiocyanato-ethyl] acetate CAS Name: acetic acid [(2R)-1-(phenylthio)-3-thiocyanatopropan-2-yl] ester IUPAC Name: [(2R)-1-phenylsulfanyl-3-thiocyanatopropan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-[(phenylthio)methyl]-2-thiocyanato-ethyl] ester Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CSC#N)CSC1=CC=CC=C1

Isomeric SMILES

CC(=O)O[C@@H](CSC#N)CSC1=CC=CC=C1

InChI

InChI=1S/C12H13NO2S2/c1-10(14)15-11(7-16-9-13)8-17-12-5-3-2-4-6-12/h2-6,11H,7-8H2,1H3/t11-/m0/s1