methyl 3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-benzyloxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanylpropanoate CAS Name: 3-[[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanylpropanoate Traditional Name: 3-[[2-(4-benzoxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]propionic acid methyl ester Formula: C26H28O4S MolecularWeight: 436.56312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)SCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)SCCC(=O)OC

InChI

InChI=1S/C26H28O4S/c1-28-23-14-10-22(11-15-23)25(31-17-16-26(27)29-2)18-20-8-12-24(13-9-20)30-19-21-6-4-3-5-7-21/h3-15,25H,16-19H2,1-2H3