[(2R,3S,6S)-3-acetyloxy-6-(2-phenylsulfanylethynyl)oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,6S)-3-acetyloxy-6-(2-phenylsulfanylethynyl)oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,6S)-3-acetoxy-6-(2-phenylsulfanylethynyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,6S)-3-acetyloxy-6-[2-(phenylthio)ethynyl]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,6S)-3-acetyloxy-6-(2-phenylsulfanylethynyl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,6S)-3-acetoxy-6-[2-(phenylthio)ethynyl]tetrahydropyran-2-yl]methyl ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CCC(O1)C#CSC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](CC[C@H](O1)C#CSC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C18H20O5S/c1-13(19)21-12-18-17(22-14(2)20)9-8-15(23-18)10-11-24-16-6-4-3-5-7-16/h3-7,15,17-18H,8-9,12H2,1-2H3/t15-,17-,18+/m0/s1