ethyl (2S,3R)-3-[(1R,2R)-2-ethyl-1-oxidanylidene-1,3-dithian-2-yl]-2-methyl-3-oxidanyl-5-phenyl-pentanoate

Systemtic Name: ethyl (2S,3R)-3-[(1R,2R)-2-ethyl-1-oxidanylidene-1,3-dithian-2-yl]-2-methyl-3-oxidanyl-5-phenyl-pentanoate Openeye Name: ethyl (2S,3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-2-methyl-5-phenyl-pentanoate CAS Name: (2S,3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-2-methyl-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-2-methyl-5-phenylpentanoate Traditional Name: (2S,3R)-3-[(1R,2R)-2-ethyl-1-keto-1,3-dithian-2-yl]-3-hydroxy-2-methyl-5-phenyl-valeric acid ethyl ester Formula: C20H30O4S2 MolecularWeight: 398.5798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(SCCCS1=O)C(CCC2=CC=CC=C2)(C(C)C(=O)OCC)O

Isomeric SMILES

CC[C@]1(SCCC[S@]1=O)[C@@](CCC2=CC=CC=C2)([C@H](C)C(=O)OCC)O

InChI

InChI=1S/C20H30O4S2/c1-4-20(25-14-9-15-26(20)23)19(22,16(3)18(21)24-5-2)13-12-17-10-7-6-8-11-17/h6-8,10-11,16,22H,4-5,9,12-15H2,1-3H3/t16-,19-,20-,26-/m1/s1