methyl (2S,3S)-2-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-5-oxidanylidene-3,5-diphenyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-5-oxidanylidene-3,5-diphenyl-pentanoate Openeye Name: methyl (2S,3S)-2-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-5-oxo-3,5-diphenyl-pentanoate CAS Name: (2S,3S)-2-[[2-[(1S)-1-(methylthio)ethyl]phenyl]seleno]-5-oxo-3,5-diphenylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[2-[(1S)-1-methylsulfanylethyl]phenyl]selanyl-5-oxo-3,5-diphenylpentanoate Traditional Name: (2S,3S)-5-keto-2-[[2-[(1S)-1-(methylthio)ethyl]phenyl]seleno]-3,5-diphenyl-valeric acid methyl ester Formula: C27H28O3SSe MolecularWeight: 511.53442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1[Se]C(C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)SC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1[Se][C@@H]([C@@H](CC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)SC

InChI

InChI=1S/C27H28O3SSe/c1-19(31-3)22-16-10-11-17-25(22)32-26(27(29)30-2)23(20-12-6-4-7-13-20)18-24(28)21-14-8-5-9-15-21/h4-17,19,23,26H,18H2,1-3H3/t19-,23-,26-/m0/s1