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

Systemtic Name: [(3S,6S)-3,4,5-triacetyloxy-6-(2-cyanoethylsulfanyl)oxan-2-yl]methyl ethanoate Openeye Name: [(3S,6S)-3,4,5-triacetoxy-6-(2-cyanoethylsulfanyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(3S,6S)-3,4,5-triacetyloxy-6-(2-cyanoethylthio)-2-oxanyl]methyl ester IUPAC Name: [(3S,6S)-3,4,5-triacetyloxy-6-(2-cyanoethylsulfanyl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(3S,6S)-3,4,5-triacetoxy-6-(2-cyanoethylthio)tetrahydropyran-2-yl]methyl ester Formula: C17H23NO9S MolecularWeight: 417.43082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCCC#N)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1[C@@H](C(C([C@@H](O1)SCCC#N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H23NO9S/c1-9(19)23-8-13-14(24-10(2)20)15(25-11(3)21)16(26-12(4)22)17(27-13)28-7-5-6-18/h13-17H,5,7-8H2,1-4H3/t13?,14-,15?,16?,17-/m0/s1