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

Systemtic Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-phenylsulfanyl-propanoic acid Openeye Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-phenylsulfanyl-propanoic acid CAS Name: 3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(phenylthio)propanoic acid IUPAC Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-phenylsulfanylpropanoic acid Traditional Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-(phenylthio)propionic acid Formula: C28H23NO4S MolecularWeight: 469.55152

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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)SC5=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)SC5=CC=CC=C5

InChI

InChI=1S/C28H23NO4S/c1-18-24(29-27(32-18)20-8-4-2-5-9-20)17-22-16-21-14-19(12-13-25(21)33-22)15-26(28(30)31)34-23-10-6-3-7-11-23/h2-14,16,26H,15,17H2,1H3,(H,30,31)