[(2S)-3-(3-chlorophenyl)-2-thiocyanato-propyl] ethanoate

Systemtic Name: [(2S)-3-(3-chlorophenyl)-2-thiocyanato-propyl] ethanoate Openeye Name: [(2S)-3-(3-chlorophenyl)-2-thiocyanato-propyl] acetate CAS Name: acetic acid [(2S)-3-(3-chlorophenyl)-2-thiocyanatopropyl] ester IUPAC Name: [(2S)-3-(3-chlorophenyl)-2-thiocyanatopropyl] acetate Traditional Name: acetic acid [(2S)-3-(3-chlorophenyl)-2-thiocyanato-propyl] ester Formula: C12H12ClNO2S MolecularWeight: 269.74718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC1=CC(=CC=C1)Cl)SC#N

Isomeric SMILES

CC(=O)OC[C@H](CC1=CC(=CC=C1)Cl)SC#N

InChI

InChI=1S/C12H12ClNO2S/c1-9(15)16-7-12(17-8-14)6-10-3-2-4-11(13)5-10/h2-5,12H,6-7H2,1H3/t12-/m0/s1