methyl 2-phenylsulfanyl-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoate

Systemtic Name: methyl 2-phenylsulfanyl-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoate Openeye Name: methyl 2-phenylsulfanyl-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propanoate CAS Name: 3-[4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl]-2-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl 2-phenylsulfanyl-3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]propanoate Traditional Name: 2-(phenylthio)-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propionic acid methyl ester Formula: C30H28N2O4S MolecularWeight: 512.61932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)SC4=CC=CC=C4

InChI

InChI=1S/C30H28N2O4S/c1-35-30(34)28(37-26-7-3-2-4-8-26)21-22-10-16-25(17-11-22)36-20-19-32-29(33)24-14-12-23(13-15-24)27-9-5-6-18-31-27/h2-18,28H,19-21H2,1H3,(H,32,33)