ethyl 3-[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]-2-phenylsulfanyl-propanoate

Systemtic Name: ethyl 3-[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]-2-phenylsulfanyl-propanoate Openeye Name: ethyl 3-[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]-2-phenylsulfanyl-propanoate CAS Name: 3-[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]-2-(phenylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4-methylsulfonylphenyl)ethoxy]phenyl]-2-phenylsulfanylpropanoate Traditional Name: 3-[4-[2-(4-mesylphenyl)ethoxy]phenyl]-2-(phenylthio)propionic acid ethyl ester Formula: C26H28O5S2 MolecularWeight: 484.62752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)S(=O)(=O)C)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)S(=O)(=O)C)SC3=CC=CC=C3

InChI

InChI=1S/C26H28O5S2/c1-3-30-26(27)25(32-23-7-5-4-6-8-23)19-21-9-13-22(14-10-21)31-18-17-20-11-15-24(16-12-20)33(2,28)29/h4-16,25H,3,17-19H2,1-2H3