[2-acetyloxy-3-(4-isothiocyanatophenyl)propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-(4-isothiocyanatophenyl)propyl] ethanoate Openeye Name: [2-acetoxy-3-(4-isothiocyanatophenyl)propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-(4-isothiocyanatophenyl)propyl] ester IUPAC Name: [2-acetyloxy-3-(4-isothiocyanatophenyl)propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-(4-isothiocyanatophenyl)propyl] ester Formula: C14H15NO4S MolecularWeight: 293.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC1=CC=C(C=C1)N=C=S)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CC1=CC=C(C=C1)N=C=S)OC(=O)C

InChI

InChI=1S/C14H15NO4S/c1-10(16)18-8-14(19-11(2)17)7-12-3-5-13(6-4-12)15-9-20/h3-6,14H,7-8H2,1-2H3