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

Systemtic Name: [(2S,3R,4S,6S)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-4-yl] ethanoate Openeye Name: [(2S,3R,4S,6S)-6-(benzyloxymethyl)-3-(1,3-dioxoisoindolin-2-yl)-2-ethylsulfanyl-tetrahydropyran-4-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6S)-3-(1,3-dioxo-2-isoindolyl)-2-(ethylthio)-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4S,6S)-3-(1,3-dioxoisoindol-2-yl)-2-ethylsulfanyl-6-(phenylmethoxymethyl)oxan-4-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6S)-6-(benzoxymethyl)-2-(ethylthio)-3-phthalimido-tetrahydropyran-4-yl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO6S/c1-3-33-25-22(26-23(28)19-11-7-8-12-20(19)24(26)29)21(31-16(2)27)13-18(32-25)15-30-14-17-9-5-4-6-10-17/h4-12,18,21-22,25H,3,13-15H2,1-2H3/t18-,21-,22+,25-/m0/s1