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

Systemtic Name: [(2R,3S,4S,5R,6S)-4-azido-2-methyl-5-phenylmethoxy-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2R,3S,4S,5R,6S)-4-azido-5-benzyloxy-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-4-azido-2-methyl-5-phenylmethoxy-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6S)-4-azido-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-4-azido-5-benzoxy-2-methyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SC2=CC=CC=C2)OCC3=CC=CC=C3)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OCC3=CC=CC=C3)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S/c1-18-23(33-25(30)20-13-7-3-8-14-20)22(28-29-27)24(31-17-19-11-5-2-6-12-19)26(32-18)34-21-15-9-4-10-16-21/h2-16,18,22-24,26H,17H2,1H3/t18-,22+,23-,24-,26+/m1/s1