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

Systemtic Name: dimethyl 2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-propyl]propanedioate Openeye Name: dimethyl 2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-propyl]propanedioate CAS Name: 2-[(2R)-2-[(4-methoxyphenyl)methylthio]-3-phenylpropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenylpropyl]propanedioate Traditional Name: 2-[(2R)-2-(p-anisylthio)-3-phenyl-propyl]malonic acid dimethyl ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O5S/c1-25-18-11-9-17(10-12-18)15-28-19(13-16-7-5-4-6-8-16)14-20(21(23)26-2)22(24)27-3/h4-12,19-20H,13-15H2,1-3H3/t19-/m0/s1