ethyl 4-(2-methylsulfanyl-5-phenylmethoxy-phenoxy)-4-phenyl-butanoate

Systemtic Name: ethyl 4-(2-methylsulfanyl-5-phenylmethoxy-phenoxy)-4-phenyl-butanoate Openeye Name: ethyl 4-(5-benzyloxy-2-methylsulfanyl-phenoxy)-4-phenyl-butanoate CAS Name: 4-[2-(methylthio)-5-phenylmethoxyphenoxy]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-(2-methylsulfanyl-5-phenylmethoxyphenoxy)-4-phenylbutanoate Traditional Name: 4-[5-benzoxy-2-(methylthio)phenoxy]-4-phenyl-butyric acid ethyl ester Formula: C26H28O4S MolecularWeight: 436.56312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)OCC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CC=C1)OC2=C(C=CC(=C2)OCC3=CC=CC=C3)SC

InChI

InChI=1S/C26H28O4S/c1-3-28-26(27)17-15-23(21-12-8-5-9-13-21)30-24-18-22(14-16-25(24)31-2)29-19-20-10-6-4-7-11-20/h4-14,16,18,23H,3,15,17,19H2,1-2H3