2-phenylsulfanyl-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-phenylsulfanyl-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoic acid Openeye Name: 2-phenylsulfanyl-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl]-2-(phenylthio)propanoic acid IUPAC Name: 2-phenylsulfanyl-3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 2-(phenylthio)-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propionic acid Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)OCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C29H26N2O4S/c32-28(23-13-11-22(12-14-23)26-8-4-5-17-30-26)31-18-19-35-24-15-9-21(10-16-24)20-27(29(33)34)36-25-6-2-1-3-7-25/h1-17,27H,18-20H2,(H,31,32)(H,33,34)