2,2,2-tris(chloranyl)ethyl N-[(2R,4aR,6S,7S,8S,8aR)-6-ethylsulfanyl-8-iodanyl-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,7S,8S,8aR)-6-ethylsulfanyl-8-iodanyl-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,7S,8S,8aR)-6-ethylsulfanyl-8-iodo-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate CAS Name: N-[(2R,4aR,6S,7S,8S,8aR)-6-(ethylthio)-8-iodo-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,7S,8S,8aR)-6-ethylsulfanyl-8-iodo-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate Traditional Name: N-[(2R,4aR,6S,7S,8S,8aR)-6-(ethylthio)-8-iodo-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: C18H21Cl3INO5S MolecularWeight: 596.69151

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H21Cl3INO5S/c1-2-29-16-13(23-17(24)26-9-18(19,20)21)12(22)14-11(27-16)8-25-15(28-14)10-6-4-3-5-7-10/h3-7,11-16H,2,8-9H2,1H3,(H,23,24)/t11-,12+,13-,14-,15-,16+/m1/s1