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

Systemtic Name: [(3R,4S)-5-acetamido-3,4-diacetyloxy-6-isothiocyanato-oxan-2-yl]methyl ethanoate Openeye Name: [(3R,4S)-5-acetamido-3,4-diacetoxy-6-isothiocyanato-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(3R,4S)-5-acetamido-3,4-diacetyloxy-6-isothiocyanato-2-oxanyl]methyl ester IUPAC Name: [(3R,4S)-5-acetamido-3,4-diacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate Traditional Name: acetic acid [(3R,4S)-5-acetamido-3,4-diacetoxy-6-isothiocyanato-tetrahydropyran-2-yl]methyl ester Formula: C15H20N2O8S MolecularWeight: 388.3929

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1N=C=S)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1[C@@H]([C@H](C(OC1N=C=S)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C15H20N2O8S/c1-7(18)17-12-14(24-10(4)21)13(23-9(3)20)11(5-22-8(2)19)25-15(12)16-6-26/h11-15H,5H2,1-4H3,(H,17,18)/t11?,12?,13-,14-,15?/m0/s1