dimethyl 2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butyl]propanedioate

Systemtic Name: dimethyl 2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butyl]propanedioate Openeye Name: dimethyl 2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butyl]propanedioate CAS Name: 2-[(2S)-2-[(4-methoxyphenyl)methylthio]-4-phenylbutyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutyl]propanedioate Traditional Name: 2-[(2S)-2-(p-anisylthio)-4-phenyl-butyl]malonic acid dimethyl ester Formula: C23H28O5S MolecularWeight: 416.53042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CCC2=CC=CC=C2)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CS[C@@H](CCC2=CC=CC=C2)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H28O5S/c1-26-19-12-9-18(10-13-19)16-29-20(14-11-17-7-5-4-6-8-17)15-21(22(24)27-2)23(25)28-3/h4-10,12-13,20-21H,11,14-16H2,1-3H3/t20-/m0/s1