[(2S,3R,4R,6R)-2,4-dimethyl-4-(phenylmethoxyamino)-6-phenylsulfanyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,6R)-2,4-dimethyl-4-(phenylmethoxyamino)-6-phenylsulfanyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,6R)-4-(benzyloxyamino)-2,4-dimethyl-6-phenylsulfanyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,6R)-2,4-dimethyl-4-(phenylmethoxyamino)-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,6R)-2,4-dimethyl-4-(phenylmethoxyamino)-6-phenylsulfanyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,6R)-4-(benzoxyamino)-2,4-dimethyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)SC2=CC=CC=C2)(C)NOCC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]([C@](C[C@H](O1)SC2=CC=CC=C2)(C)NOCC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C22H27NO4S/c1-16-21(27-17(2)24)22(3,23-25-15-18-10-6-4-7-11-18)14-20(26-16)28-19-12-8-5-9-13-19/h4-13,16,20-21,23H,14-15H2,1-3H3/t16-,20+,21-,22+/m0/s1