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Methyl 2,3,4-tri-O-acetyl-N-(anilinocarbothioyl)hexopyranosyluronateamine
SpectraBase Compound ID BcyEOE9E5ju
InChI InChI=1S/C20H24N2O9S/c1-10(23)28-14-15(29-11(2)24)17(19(26)27-4)31-18(16(14)30-12(3)25)22-20(32)21-13-8-6-5-7-9-13/h5-9,14-18H,1-4H3,(H2,21,22,32)/t14-,15?,16-,17+,18-/m1/s1
InChIKey DSDVRZAQIJDREC-AJYUKVHDSA-N
Mol Weight 468.48 g/mol
Molecular Formula C20H24N2O9S
Exact Mass 468.120252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSIOzlAHs90
Name Methyl 2,3,4-tri-O-acetyl-N-(anilinocarbothioyl)hexopyranosyluronateamine
Alternate Name(s) 3,4,5-triacetyloxy-6-[[anilino(sulfanylidene)methyl]amino]-2-oxanecarboxylic acid methyl ester Methyl 3,4,5-triacetoxy-6-(phenylcarbamothioylamino)tetrahydropyran-2-carboxylate Methyl 3,4,5-triacetyloxy-6-(phenylcarbamothioylamino)oxane-2-carboxylate
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Formula C20H24N2O9S
InChI InChI=1S/C20H24N2O9S/c1-10(23)28-14-15(29-11(2)24)17(19(26)27-4)31-18(16(14)30-12(3)25)22-20(32)21-13-8-6-5-7-9-13/h5-9,14-18H,1-4H3,(H2,21,22,32)/t14-,15?,16-,17+,18-/m1/s1
InChIKey DSDVRZAQIJDREC-AJYUKVHDSA-N
Molecular Weight 468.477 g/mol
SMILES N([C@@]1(O[C@@](C([C@]([C@]1(OC(C)=O)[H])(OC(=O)C)[H])OC(C)=O)(C(=O)OC)[H])[H])C(=S)Nc1ccccc1
SPLASH splash10-052f-9710000000-5d835a88cb5c66a40828
Source of Spectrum NP-15-4688-0
Wiley ID 1112561