methyl (2S)-2-(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-(2-methoxy-2-oxidanylidene-1-phenyl-ethyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: methyl (2S)-2-hydroxy-2-(2-methoxy-2-oxo-1-phenyl-ethyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: (2S)-2-hydroxy-2-[(2-methoxy-2-oxo-1-phenylethyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-hydroxy-2-(2-methoxy-2-oxo-1-phenylethyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: (2S)-2-hydroxy-2-[(2-keto-2-methoxy-1-phenyl-ethyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid methyl ester Formula: C33H40O5S MolecularWeight: 548.7327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SC(CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)(C(=O)OC)O

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)S[C@@](CC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)(C(=O)OC)O

InChI

InChI=1S/C33H40O5S/c1-37-31(34)30(28-22-13-8-14-23-28)39-33(36,32(35)38-2)25-29-24-16-15-21-27(29)20-12-6-4-3-5-9-17-26-18-10-7-11-19-26/h7-8,10-11,13-16,18-19,21-24,30,36H,3-6,9,12,17,20,25H2,1-2H3/t30?,33-/m0/s1