[(2R,4aR,6S,7R,8R,8aR)-6-ethylsulfanyl-2-phenyl-7-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(2R,4aR,6S,7R,8R,8aR)-6-ethylsulfanyl-2-phenyl-7-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(2R,4aR,6S,7R,8R,8aR)-6-ethylsulfanyl-2-phenyl-7-(2,2,2-trichloroethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(2R,4aR,6S,7R,8R,8aR)-6-(ethylthio)-7-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [(2R,4aR,6S,7R,8R,8aR)-6-ethylsulfanyl-2-phenyl-7-(2,2,2-trichloroethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(2R,4aR,6S,7R,8R,8aR)-6-(ethylthio)-2-phenyl-7-(2,2,2-trichloroethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C19H21Cl3F3NO8S2 MolecularWeight: 618.85615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C19H21Cl3F3NO8S2/c1-2-35-16-12(26-17(27)31-9-18(20,21)22)14(34-36(28,29)19(23,24)25)13-11(32-16)8-30-15(33-13)10-6-4-3-5-7-10/h3-7,11-16H,2,8-9H2,1H3,(H,26,27)/t11-,12-,13-,14-,15-,16+/m1/s1