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

Systemtic Name: [(2S,3S,6S)-3-methyl-6-(2-phenylsulfanylethynyl)oxan-2-yl]methyl ethanoate Openeye Name: [(2S,3S,6S)-3-methyl-6-(2-phenylsulfanylethynyl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3S,6S)-3-methyl-6-[2-(phenylthio)ethynyl]-2-oxanyl]methyl ester IUPAC Name: [(2S,3S,6S)-3-methyl-6-(2-phenylsulfanylethynyl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3S,6S)-3-methyl-6-[2-(phenylthio)ethynyl]tetrahydropyran-2-yl]methyl ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC1COC(=O)C)C#CSC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H20O3S/c1-13-8-9-15(20-17(13)12-19-14(2)18)10-11-21-16-6-4-3-5-7-16/h3-7,13,15,17H,8-9,12H2,1-2H3/t13-,15-,17+/m0/s1