diethyl 2-[(1S,3S,5S,6R,7S,7aR)-5-ethylsulfanyl-1-[(4-methoxyphenyl)methoxymethyl]-6,7-bis(oxidanyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazol-3-yl]propanedioate

Systemtic Name: diethyl 2-[(1S,3S,5S,6R,7S,7aR)-5-ethylsulfanyl-1-[(4-methoxyphenyl)methoxymethyl]-6,7-bis(oxidanyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazol-3-yl]propanedioate Openeye Name: diethyl 2-[(1S,3S,5S,6R,7S,7aR)-5-ethylsulfanyl-6,7-dihydroxy-1-[(4-methoxyphenyl)methoxymethyl]-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]oxazol-3-yl]propanedioate CAS Name: 2-[(1S,3S,5S,6R,7S,7aR)-5-(ethylthio)-6,7-dihydroxy-1-[(4-methoxyphenyl)methoxymethyl]-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]oxazol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S,3S,5S,6R,7S,7aR)-5-ethylsulfanyl-6,7-dihydroxy-1-[(4-methoxyphenyl)methoxymethyl]-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazol-3-yl]propanedioate Traditional Name: 2-[(1S,3S,5S,6R,7S,7aR)-5-(ethylthio)-6,7-dihydroxy-1-(p-anisyloxymethyl)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]oxazol-3-yl]malonic acid diethyl ester Formula: C24H35NO9S MolecularWeight: 513.601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1N2C(C(O1)COCC3=CC=C(C=C3)OC)C(C(C2SCC)O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H]1N2[C@@H]([C@H](O1)COCC3=CC=C(C=C3)OC)[C@@H]([C@H]([C@@H]2SCC)O)O)C(=O)OCC

InChI

InChI=1S/C24H35NO9S/c1-5-32-23(28)17(24(29)33-6-2)21-25-18(19(26)20(27)22(25)35-7-3)16(34-21)13-31-12-14-8-10-15(30-4)11-9-14/h8-11,16-22,26-27H,5-7,12-13H2,1-4H3/t16-,18+,19+,20-,21+,22+/m1/s1