dimethyl 2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-propyl]-2-(phenylmethyl)propanedioate

Systemtic Name: dimethyl 2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-propyl]-2-(phenylmethyl)propanedioate Openeye Name: dimethyl 2-benzyl-2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-propyl]propanedioate CAS Name: 2-[(2S)-2-[(4-methoxyphenyl)methylthio]-3-phenylpropyl]-2-(phenylmethyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-benzyl-2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenylpropyl]propanedioate Traditional Name: 2-benzyl-2-[(2S)-2-(p-anisylthio)-3-phenyl-propyl]malonic acid dimethyl ester Formula: C29H32O5S MolecularWeight: 492.62638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CC2=CC=CC=C2)CC(CC3=CC=CC=C3)(C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CS[C@@H](CC2=CC=CC=C2)CC(CC3=CC=CC=C3)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C29H32O5S/c1-32-25-16-14-24(15-17-25)21-35-26(18-22-10-6-4-7-11-22)20-29(27(30)33-2,28(31)34-3)19-23-12-8-5-9-13-23/h4-17,26H,18-21H2,1-3H3/t26-/m0/s1