methyl 4-[3-[5-(methylsulfanylmethyl)-2-phenylmethoxy-phenyl]propyl]benzoate

Systemtic Name: methyl 4-[3-[5-(methylsulfanylmethyl)-2-phenylmethoxy-phenyl]propyl]benzoate Openeye Name: methyl 4-[3-[2-benzyloxy-5-(methylsulfanylmethyl)phenyl]propyl]benzoate CAS Name: 4-[3-[5-[(methylthio)methyl]-2-phenylmethoxyphenyl]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[5-(methylsulfanylmethyl)-2-phenylmethoxyphenyl]propyl]benzoate Traditional Name: 4-[3-[2-benzoxy-5-[(methylthio)methyl]phenyl]propyl]benzoic acid methyl ester Formula: C26H28O3S MolecularWeight: 420.56372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)CSC)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)CSC)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28O3S/c1-28-26(27)23-14-11-20(12-15-23)9-6-10-24-17-22(19-30-2)13-16-25(24)29-18-21-7-4-3-5-8-21/h3-5,7-8,11-17H,6,9-10,18-19H2,1-2H3