dimethyl 2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-pentyl]-2-(phenylmethyl)propanedioate

Systemtic Name: dimethyl 2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-pentyl]-2-(phenylmethyl)propanedioate Openeye Name: dimethyl 2-benzyl-2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-pentyl]propanedioate CAS Name: 2-[(2R)-2-[(4-methoxyphenyl)methylthio]-3-methylpentyl]-2-(phenylmethyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-benzyl-2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpentyl]propanedioate Traditional Name: 2-benzyl-2-[(2R)-3-methyl-2-(p-anisylthio)pentyl]malonic acid dimethyl ester Formula: C26H34O5S MolecularWeight: 458.61016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(CC1=CC=CC=C1)(C(=O)OC)C(=O)OC)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)[C@@H](CC(CC1=CC=CC=C1)(C(=O)OC)C(=O)OC)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C26H34O5S/c1-6-19(2)23(32-18-21-12-14-22(29-3)15-13-21)17-26(24(27)30-4,25(28)31-5)16-20-10-8-7-9-11-20/h7-15,19,23H,6,16-18H2,1-5H3/t19?,23-/m1/s1