S-tert-butyl 2-[(2S,6R)-4-methylidene-6-(2-phenylmethoxyethyl)oxan-2-yl]ethanethioate

Systemtic Name: S-tert-butyl 2-[(2S,6R)-4-methylidene-6-(2-phenylmethoxyethyl)oxan-2-yl]ethanethioate Openeye Name: S-tert-butyl 2-[(2S,6R)-6-(2-benzyloxyethyl)-4-methylene-tetrahydropyran-2-yl]ethanethioate CAS Name: 2-[(2S,6R)-4-methylene-6-(2-phenylmethoxyethyl)-2-oxanyl]ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-[(2S,6R)-4-methylidene-6-(2-phenylmethoxyethyl)oxan-2-yl]ethanethioate Traditional Name: 2-[(2S,6R)-6-(2-benzoxyethyl)-4-methylene-tetrahydropyran-2-yl]ethanethioic acid S-tert-butyl ester Formula: C21H30O3S MolecularWeight: 362.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC1CC(=C)CC(O1)CCOCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SC(=O)C[C@@H]1CC(=C)C[C@@H](O1)CCOCC2=CC=CC=C2

InChI

InChI=1S/C21H30O3S/c1-16-12-18(10-11-23-15-17-8-6-5-7-9-17)24-19(13-16)14-20(22)25-21(2,3)4/h5-9,18-19H,1,10-15H2,2-4H3/t18-,19-/m0/s1