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

Systemtic Name: 2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-2-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]propanoic acid CAS Name: 2-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-(benzylthio)-2-[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)C(C)(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)C(C)(C(=O)O)SCC5=CC=CC=C5

InChI

InChI=1S/C29H25NO4S/c1-19-25(30-27(33-19)21-11-7-4-8-12-21)17-24-16-22-15-23(13-14-26(22)34-24)29(2,28(31)32)35-18-20-9-5-3-6-10-20/h3-16H,17-18H2,1-2H3,(H,31,32)