[3,4,5-triacetyloxy-6-(2-methylsulfonylsulfanylethylcarbamoylamino)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(2-methylsulfonylsulfanylethylcarbamoylamino)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(2-methylsulfonylsulfanylethylcarbamoylamino)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[[2-(methylsulfonylthio)ethylamino]-oxomethyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(2-methylsulfonylsulfanylethylcarbamoylamino)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[2-(mesylthio)ethylcarbamoylamino]tetrahydropyran-2-yl]methyl ester Formula: C18H28N2O12S2 MolecularWeight: 528.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=O)NCCSS(=O)(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)NC(=O)NCCSS(=O)(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H28N2O12S2/c1-9(21)28-8-13-14(29-10(2)22)15(30-11(3)23)16(31-12(4)24)17(32-13)20-18(25)19-6-7-33-34(5,26)27/h13-17H,6-8H2,1-5H3,(H2,19,20,25)