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

Systemtic Name: ethyl (3R)-3-[(1R,2R)-2-ethyl-1-oxidanylidene-1,3-dithian-2-yl]-3-oxidanyl-5-phenyl-pentanoate Openeye Name: ethyl (3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-5-phenyl-pentanoate CAS Name: (3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(1R,2R)-2-ethyl-1-oxo-1,3-dithian-2-yl]-3-hydroxy-5-phenylpentanoate Traditional Name: (3R)-3-[(1R,2R)-2-ethyl-1-keto-1,3-dithian-2-yl]-3-hydroxy-5-phenyl-valeric acid ethyl ester Formula: C19H28O4S2 MolecularWeight: 384.55322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4S2/c1-3-19(24-13-8-14-25(19)22)18(21,15-17(20)23-4-2)12-11-16-9-6-5-7-10-16/h5-7,9-10,21H,3-4,8,11-15H2,1-2H3/t18-,19-,25-/m1/s1