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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1CC(OC1COCC2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=S)O[C@H]1C[C@@H](O[C@@H]1COCC2=CC=CC=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO4S/c1-3-26(4-2)25(31)30-23-16-21(15-22(27)20-13-9-6-10-14-20)29-24(23)18-28-17-19-11-7-5-8-12-19/h5-14,21,23-24H,3-4,15-18H2,1-2H3/t21-,23-,24+/m0/s1