3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]propanoic acid CAS Name: 3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-(benzylthio)-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]propionic acid Formula: C29H25NO4S MolecularWeight: 483.5781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CC3=CC4=C(O3)C=CC(=C4)CC(C(=O)O)SCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CC3=CC4=C(O3)C=CC(=C4)CC(C(=O)O)SCC5=CC=CC=C5

InChI

InChI=1S/C29H25NO4S/c1-19-25(30-28(33-19)22-10-6-3-7-11-22)17-24-16-23-14-21(12-13-26(23)34-24)15-27(29(31)32)35-18-20-8-4-2-5-9-20/h2-14,16,27H,15,17-18H2,1H3,(H,31,32)