methyl 2-[2-(4-chlorophenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate Openeye Name: methyl 2-[2-(4-chlorophenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate CAS Name: 2-[2-(4-chlorophenyl)ethylthio]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)ethylsulfanyl]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate Traditional Name: 2-[2-(4-chlorophenyl)ethylthio]-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propionic acid methyl ester Formula: C27H29ClO6S2 MolecularWeight: 549.09856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OS(=O)(=O)C)SCCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)CCOC2=CC=C(C=C2)OS(=O)(=O)C)SCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H29ClO6S2/c1-32-27(29)26(35-18-16-21-7-9-23(28)10-8-21)19-22-5-3-20(4-6-22)15-17-33-24-11-13-25(14-12-24)34-36(2,30)31/h3-14,26H,15-19H2,1-2H3