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

Systemtic Name: 2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-phenylsulfanyl-propanoic acid Openeye Name: 2-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-phenylsulfanyl-propanoic acid CAS Name: 2-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(phenylthio)propanoic acid IUPAC Name: 2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-phenylsulfanylpropanoic acid Traditional Name: 2-[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)C(C)(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)C(C)(C(=O)O)SC5=CC=CC=C5

InChI

InChI=1S/C28H23NO4S/c1-18-24(29-26(32-18)19-9-5-3-6-10-19)17-22-16-20-15-21(13-14-25(20)33-22)28(2,27(30)31)34-23-11-7-4-8-12-23/h3-16H,17H2,1-2H3,(H,30,31)