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

Systemtic Name: dimethyl 2-butan-2-yl-2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-propyl]propanedioate Openeye Name: dimethyl 2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-propyl]-2-sec-butyl-propanedioate CAS Name: 2-butan-2-yl-2-[(2S)-2-[(4-methoxyphenyl)methylthio]-3-phenylpropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-butan-2-yl-2-[(2S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-phenylpropyl]propanedioate Traditional Name: 2-[(2S)-2-(p-anisylthio)-3-phenyl-propyl]-2-sec-butyl-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)SCC2=CC=C(C=C2)OC)(C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H34O5S/c1-6-19(2)26(24(27)30-4,25(28)31-5)17-23(16-20-10-8-7-9-11-20)32-18-21-12-14-22(29-3)15-13-21/h7-15,19,23H,6,16-18H2,1-5H3/t19?,23-/m0/s1