[(2S,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-phenylsulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2S,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-phenylsulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2S,3S,4R,5R,6S)-5-acetamido-3,4-diacetoxy-6-phenylsulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(phenylthio)-2-oxanyl]methyl ester IUPAC Name: [(2S,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3S,4R,5R,6S)-5-acetamido-3,4-diacetoxy-6-(phenylthio)tetrahydropyran-2-yl]methyl ester Formula: C20H25NO8S MolecularWeight: 439.4794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1SC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H25NO8S/c1-11(22)21-17-19(28-14(4)25)18(27-13(3)24)16(10-26-12(2)23)29-20(17)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3,(H,21,22)/t16-,17+,18+,19+,20-/m0/s1