[(2S,3R,4R,5R,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethylsulfanyl-5-iodanyl-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5R,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethylsulfanyl-5-iodanyl-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-6-ethylsulfanyl-3-iodo-tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5R,6R)-3-(1,3-dioxo-2-isoindolyl)-2-(ethylthio)-5-iodo-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6R)-3-(1,3-dioxoisoindol-2-yl)-2-ethylsulfanyl-5-iodo-6-(phenylmethoxymethyl)oxan-4-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-2-(benzoxymethyl)-6-(ethylthio)-3-iodo-5-phthalimido-tetrahydropyran-4-yl] ester Formula: C25H26INO6S MolecularWeight: 595.44651

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)I)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)I)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H26INO6S/c1-3-34-25-21(27-23(29)17-11-7-8-12-18(17)24(27)30)22(32-15(2)28)20(26)19(33-25)14-31-13-16-9-5-4-6-10-16/h4-12,19-22,25H,3,13-14H2,1-2H3/t19-,20+,21-,22+,25+/m1/s1