(phenylmethyl) (2S,3R)-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-3-oxidanyl-7-phenylmethoxy-heptanoate

Systemtic Name: (phenylmethyl) (2S,3R)-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-3-oxidanyl-7-phenylmethoxy-heptanoate Openeye Name: benzyl (2S,3R)-7-benzyloxy-3-hydroxy-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]heptanoate CAS Name: (2S,3R)-3-hydroxy-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-7-phenylmethoxyheptanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-hydroxy-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]-7-phenylmethoxyheptanoate Traditional Name: (2S,3R)-7-benzoxy-3-hydroxy-2-[2-(2-methyl-1,3-dithiolan-2-yl)ethyl]enanthic acid benzyl ester Formula: C27H36O4S2 MolecularWeight: 488.70234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(SCCS1)CCC(C(CCCCOCC2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1(SCCS1)CC[C@@H]([C@@H](CCCCOCC2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H36O4S2/c1-27(32-18-19-33-27)16-15-24(26(29)31-21-23-12-6-3-7-13-23)25(28)14-8-9-17-30-20-22-10-4-2-5-11-22/h2-7,10-13,24-25,28H,8-9,14-21H2,1H3/t24-,25+/m0/s1