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

Systemtic Name: dimethyl 2-butan-2-yl-2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-pentyl]propanedioate Openeye Name: dimethyl 2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-pentyl]-2-sec-butyl-propanedioate CAS Name: 2-butan-2-yl-2-[(2R)-2-[(4-methoxyphenyl)methylthio]-3-methylpentyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-butan-2-yl-2-[(2R)-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpentyl]propanedioate Traditional Name: 2-[(2R)-3-methyl-2-(p-anisylthio)pentyl]-2-sec-butyl-malonic acid dimethyl ester Formula: C23H36O5S MolecularWeight: 424.59394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(C(C)CC)(C(=O)OC)C(=O)OC)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CCC(C)[C@@H](CC(C(C)CC)(C(=O)OC)C(=O)OC)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C23H36O5S/c1-8-16(3)20(29-15-18-10-12-19(26-5)13-11-18)14-23(17(4)9-2,21(24)27-6)22(25)28-7/h10-13,16-17,20H,8-9,14-15H2,1-7H3/t16?,17?,20-/m1/s1