3-[4-[3-[4-ethyl-2-(phenylcarbonyl)phenoxy]butylsulfanyl]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-[4-ethyl-2-(phenylcarbonyl)phenoxy]butylsulfanyl]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(2-benzoyl-4-ethyl-phenoxy)butylsulfanyl]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(2-benzoyl-4-ethylphenoxy)butylthio]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(2-benzoyl-4-ethylphenoxy)butylsulfanyl]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(2-benzoyl-4-ethyl-phenoxy)butylthio]-2-methyl-phenyl]propionic acid Formula: C29H32O4S MolecularWeight: 476.62698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(C)CCSC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(C)CCSC2=CC(=C(C=C2)CCC(=O)O)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H32O4S/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)33-21(3)16-17-34-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)