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

Systemtic Name: [(2S,3R,4R,5S,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-ethylsulfanyl-5-oxidanyl-6-(phenylmethoxymethyl)oxan-4-yl] benzoate Openeye Name: [(2R,3S,4R,5R,6S)-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-6-ethylsulfanyl-3-hydroxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5S,6R)-3-(1,3-dioxo-2-isoindolyl)-2-(ethylthio)-5-hydroxy-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-2-ethylsulfanyl-5-hydroxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6S)-2-(benzoxymethyl)-6-(ethylthio)-3-hydroxy-5-phthalimido-tetrahydropyran-4-yl] ester Formula: C30H29NO7S MolecularWeight: 547.61876

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C30H29NO7S/c1-2-39-30-24(31-27(33)21-15-9-10-16-22(21)28(31)34)26(38-29(35)20-13-7-4-8-14-20)25(32)23(37-30)18-36-17-19-11-5-3-6-12-19/h3-16,23-26,30,32H,2,17-18H2,1H3/t23-,24-,25-,26-,30+/m1/s1