3-[4-[3-[4-(4-chlorophenyl)-2-pyridin-2-ylsulfanyl-1,3-oxazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[3-[4-(4-chlorophenyl)-2-pyridin-2-ylsulfanyl-1,3-oxazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[3-[4-(4-chlorophenyl)-2-(2-pyridylsulfanyl)oxazol-5-yl]propanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[[3-[4-(4-chlorophenyl)-2-(2-pyridinylthio)-5-oxazolyl]-1-oxopropyl]amino]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[3-[4-(4-chlorophenyl)-2-pyridin-2-ylsulfanyl-1,3-oxazol-5-yl]propanoylamino]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[3-[4-(4-chlorophenyl)-2-(2-pyridylthio)oxazol-5-yl]propanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C28H29ClN3O5PS MolecularWeight: 586.038721

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(O2)SC3=CC=CC=N3)C4=CC=C(C=C4)Cl)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(O2)SC3=CC=CC=N3)C4=CC=C(C=C4)Cl)P(=O)(O)O

InChI

InChI=1S/C28H29ClN3O5PS/c1-3-28(4-2,38(34,35)36)20-10-14-22(15-11-20)31-24(33)17-16-23-26(19-8-12-21(29)13-9-19)32-27(37-23)39-25-7-5-6-18-30-25/h5-15,18H,3-4,16-17H2,1-2H3,(H,31,33)(H2,34,35,36)