S-ethyl (2R,3R)-6-oxidanylidene-2-phenethyl-oxane-3-carbothioate

Systemtic Name: S-ethyl (2R,3R)-6-oxidanylidene-2-phenethyl-oxane-3-carbothioate Openeye Name: S-ethyl (2R,3R)-6-oxo-2-phenethyl-tetrahydropyran-3-carbothioate CAS Name: (2R,3R)-6-oxo-2-phenethyl-3-oxanecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl (2R,3R)-6-oxo-2-phenethyloxane-3-carbothioate Traditional Name: (2R,3R)-6-keto-2-phenethyl-tetrahydropyran-3-carbothioic acid S-ethyl ester Formula: C16H20O3S MolecularWeight: 292.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1CCC(=O)OC1CCC2=CC=CC=C2

Isomeric SMILES

CCSC(=O)[C@@H]1CCC(=O)O[C@@H]1CCC2=CC=CC=C2

InChI

InChI=1S/C16H20O3S/c1-2-20-16(18)13-9-11-15(17)19-14(13)10-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14-/m1/s1