[(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-thiocyanato-oxan-3-yl] benzoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-thiocyanato-oxan-3-yl] benzoate Openeye Name: [(2R,3S,4R,5R,6S)-5-azido-4-benzyloxy-2-(benzyloxymethyl)-6-thiocyanato-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-thiocyanato-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-thiocyanatooxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6S)-5-azido-4-benzoxy-2-(benzoxymethyl)-6-thiocyanato-tetrahydropyran-3-yl] ester Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)SC#N)N=[N+]=[N-])OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)SC#N)N=[N+]=[N-])OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O5S/c29-19-38-28-24(31-32-30)26(35-17-21-12-6-2-7-13-21)25(37-27(33)22-14-8-3-9-15-22)23(36-28)18-34-16-20-10-4-1-5-11-20/h1-15,23-26,28H,16-18H2/t23-,24-,25-,26-,28+/m1/s1