2-methyl-2-[4-[2-oxidanylidene-2-[1-(2-phenylsulfanylphenyl)pentylamino]ethyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[2-oxidanylidene-2-[1-(2-phenylsulfanylphenyl)pentylamino]ethyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[2-oxo-2-[1-(2-phenylsulfanylphenyl)pentylamino]ethyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[2-oxo-2-[1-[2-(phenylthio)phenyl]pentylamino]ethyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[2-oxo-2-[1-(2-phenylsulfanylphenyl)pentylamino]ethyl]phenoxy]propanoic acid Traditional Name: 2-[4-[2-keto-2-[1-[2-(phenylthio)phenyl]pentylamino]ethyl]phenoxy]-2-methyl-propionic acid Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1SC2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=CC=C1SC2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C29H33NO4S/c1-4-5-14-25(24-13-9-10-15-26(24)35-23-11-7-6-8-12-23)30-27(31)20-21-16-18-22(19-17-21)34-29(2,3)28(32)33/h6-13,15-19,25H,4-5,14,20H2,1-3H3,(H,30,31)(H,32,33)