O-[[(2R,3S,5S)-5-phenacyl-3-phenylmethoxy-oxolan-2-yl]methyl] N,N-diethylcarbamothioate

Systemtic Name: O-[[(2R,3S,5S)-5-phenacyl-3-phenylmethoxy-oxolan-2-yl]methyl] N,N-diethylcarbamothioate Openeye Name: O-[[(2R,3S,5S)-3-benzyloxy-5-phenacyl-tetrahydrofuran-2-yl]methyl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-[[(2R,3S,5S)-5-phenacyl-3-phenylmethoxy-2-oxolanyl]methyl] ester IUPAC Name: O-[[(2R,3S,5S)-5-phenacyl-3-phenylmethoxyoxolan-2-yl]methyl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-[[(2R,3S,5S)-3-benzoxy-5-phenacyl-tetrahydrofuran-2-yl]methyl] ester Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OCC1C(CC(O1)CC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=S)OC[C@@H]1[C@H](C[C@H](O1)CC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO4S/c1-3-26(4-2)25(31)29-18-24-23(28-17-19-11-7-5-8-12-19)16-21(30-24)15-22(27)20-13-9-6-10-14-20/h5-14,21,23-24H,3-4,15-18H2,1-2H3/t21-,23+,24-/m1/s1