diethyl 2-[(1S,3R,5R,6R,7R,7aS)-5-ethylsulfanyl-1-methyl-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,3R,5R,6R,7R,7aS)-5-ethylsulfanyl-1-methyl-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,3R,5R,6R,7R,7aS)-5-ethylsulfanyl-6,7-dihydroxy-1-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]oxazol-3-yl]propanedioate CAS Name: 2-[(1S,3R,5R,6R,7R,7aS)-5-(ethylthio)-6,7-dihydroxy-1-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]oxazol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S,3R,5R,6R,7R,7aS)-5-ethylsulfanyl-6,7-dihydroxy-1-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]oxazol-3-yl]propanedioate Traditional Name: 2-[(1S,3R,5R,6R,7R,7aS)-5-(ethylthio)-6,7-dihydroxy-1-methyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]oxazol-3-yl]malonic acid diethyl ester Formula: C16H27NO7S MolecularWeight: 377.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1N2C(C(O1)C)C(C(C2SCC)O)O)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO7S/c1-5-22-15(20)9(16(21)23-6-2)13-17-10(8(4)24-13)11(18)12(19)14(17)25-7-3/h8-14,18-19H,5-7H2,1-4H3/t8-,10+,11+,12+,13+,14+/m0/s1