(1-phenyl-2-thiocyanato-ethyl) ethanoate

Systemtic Name: (1-phenyl-2-thiocyanato-ethyl) ethanoate Openeye Name: (1-phenyl-2-thiocyanato-ethyl) acetate CAS Name: acetic acid (1-phenyl-2-thiocyanatoethyl) ester IUPAC Name: (1-phenyl-2-thiocyanatoethyl) acetate Traditional Name: acetic acid (1-phenyl-2-thiocyanato-ethyl) ester Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2S/c1-9(13)14-11(7-15-8-12)10-5-3-2-4-6-10/h2-6,11H,7H2,1H3