diethyl 2-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl]propanedioate

Systemtic Name: diethyl 2-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl]propanedioate Openeye Name: diethyl 2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamothioyl]propanedioate CAS Name: 2-[sulfanylidene-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamothioyl]propanedioate Traditional Name: 2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thiocarbamoyl]malonic acid diethyl ester Formula: C22H31NO13S MolecularWeight: 549.54544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=S)NC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=S)NC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C22H31NO13S/c1-7-30-21(28)15(22(29)31-8-2)20(37)23-19-18(35-13(6)27)17(34-12(5)26)16(33-11(4)25)14(36-19)9-32-10(3)24/h14-19H,7-9H2,1-6H3,(H,23,37)