O-[(2S,3R,4S,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] imidazole-1-carbothioate

Systemtic Name: O-[(2S,3R,4S,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] imidazole-1-carbothioate Openeye Name: O-[(2S,3R,4S,5R)-4-benzyloxy-5-(benzyloxymethyl)-2-methoxy-tetrahydrofuran-3-yl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[(2S,3R,4S,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-oxolanyl] ester IUPAC Name: O-[(2S,3R,4S,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[(2S,3R,4S,5R)-4-benzoxy-5-(benzoxymethyl)-2-methoxy-tetrahydrofuran-3-yl] ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=S)N4C=CN=C4

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=S)N4C=CN=C4

InChI

InChI=1S/C24H26N2O5S/c1-27-23-22(31-24(32)26-13-12-25-17-26)21(29-15-19-10-6-3-7-11-19)20(30-23)16-28-14-18-8-4-2-5-9-18/h2-13,17,20-23H,14-16H2,1H3/t20-,21+,22-,23+/m1/s1