[2-(4-methoxyphenyl)-3-thiocyanato-propyl] ethanoate

Systemtic Name: [2-(4-methoxyphenyl)-3-thiocyanato-propyl] ethanoate Openeye Name: [2-(4-methoxyphenyl)-3-thiocyanato-propyl] acetate CAS Name: acetic acid [2-(4-methoxyphenyl)-3-thiocyanatopropyl] ester IUPAC Name: [2-(4-methoxyphenyl)-3-thiocyanatopropyl] acetate Traditional Name: acetic acid [2-(4-methoxyphenyl)-3-thiocyanato-propyl] ester Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S/c1-10(15)17-7-12(8-18-9-14)11-3-5-13(16-2)6-4-11/h3-6,12H,7-8H2,1-2H3