2,2,2-tris(chloranyl)ethyl N-[(2R,4aR,6S,7R,8aS)-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl N-[(2R,4aR,6S,7R,8aS)-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate Openeye Name: 2,2,2-trichloroethyl N-[(2R,4aR,6S,7R,8aS)-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate CAS Name: N-[(2R,4aR,6S,7R,8aS)-6-(ethylthio)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl N-[(2R,4aR,6S,7R,8aS)-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate Traditional Name: N-[(2R,4aR,6S,7R,8aS)-6-(ethylthio)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamic acid 2,2,2-trichloroethyl ester Formula: C18H22Cl3NO5S MolecularWeight: 470.79498

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(CC2C(O1)COC(O2)C3=CC=CC=C3)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H22Cl3NO5S/c1-2-28-16-12(22-17(23)25-10-18(19,20)21)8-13-14(27-16)9-24-15(26-13)11-6-4-3-5-7-11/h3-7,12-16H,2,8-10H2,1H3,(H,22,23)/t12-,13+,14-,15-,16+/m1/s1