O-[(2R,3S,6S)-6-methoxy-2-[2-(phenylmethoxycarbonylamino)ethyl]oxan-3-yl] imidazole-1-carbothioate

Systemtic Name: O-[(2R,3S,6S)-6-methoxy-2-[2-(phenylmethoxycarbonylamino)ethyl]oxan-3-yl] imidazole-1-carbothioate Openeye Name: O-[(2R,3S,6S)-2-[2-(benzyloxycarbonylamino)ethyl]-6-methoxy-tetrahydropyran-3-yl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[(2R,3S,6S)-6-methoxy-2-[2-(phenylmethoxycarbonylamino)ethyl]-3-oxanyl] ester IUPAC Name: O-[(2R,3S,6S)-6-methoxy-2-[2-(phenylmethoxycarbonylamino)ethyl]oxan-3-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[(2R,3S,6S)-2-[2-(benzyloxycarbonylamino)ethyl]-6-methoxy-tetrahydropyran-3-yl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(C(O1)CCNC(=O)OCC2=CC=CC=C2)OC(=S)N3C=CN=C3

Isomeric SMILES

CO[C@@H]1CC[C@@H]([C@H](O1)CCNC(=O)OCC2=CC=CC=C2)OC(=S)N3C=CN=C3

InChI

InChI=1S/C20H25N3O5S/c1-25-18-8-7-16(28-20(29)23-12-11-21-14-23)17(27-18)9-10-22-19(24)26-13-15-5-3-2-4-6-15/h2-6,11-12,14,16-18H,7-10,13H2,1H3,(H,22,24)/t16-,17+,18-/m0/s1