(3aR,6S,7R)-6-[(1R)-2,2-bis(ethylsulfanyl)-1-phenylmethoxy-ethyl]-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazol-7-ol

Systemtic Name: (3aR,6S,7R)-6-[(1R)-2,2-bis(ethylsulfanyl)-1-phenylmethoxy-ethyl]-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazol-7-ol Openeye Name: (3aR,6S,7R)-6-[(1R)-1-benzyloxy-2,2-bis(ethylsulfanyl)ethyl]-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c]isoxazol-7-ol CAS Name: (3aR,6S,7R)-6-[(1R)-2,2-bis(ethylthio)-1-phenylmethoxyethyl]-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c]isoxazol-7-ol IUPAC Name: (3aR,6S,7R)-6-[(1R)-2,2-bis(ethylsulfanyl)-1-phenylmethoxyethyl]-3a,4,6,7-tetrahydro-3H-pyrano[4,3-c][1,2]oxazol-7-ol Traditional Name: (3aR,6S,7R)-6-[(1R)-1-benzoxy-2,2-bis(ethylthio)ethyl]-3a,4,6,7-tetrahydro-3H-pyran[4,3-c]isoxazol-7-ol Formula: C19H27NO4S2 MolecularWeight: 397.55198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C1C(C2=NOCC2CO1)O)OCC3=CC=CC=C3)SCC

Isomeric SMILES

CCSC([C@@H]([C@@H]1[C@@H](C2=NOC[C@H]2CO1)O)OCC3=CC=CC=C3)SCC

InChI

InChI=1S/C19H27NO4S2/c1-3-25-19(26-4-2)18(22-10-13-8-6-5-7-9-13)17-16(21)15-14(11-23-17)12-24-20-15/h5-9,14,16-19,21H,3-4,10-12H2,1-2H3/t14-,16-,17+,18-/m1/s1