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

Systemtic Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-methylsulfonyl-propanoic acid Openeye Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-methylsulfonyl-propanoic acid CAS Name: 3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-methylsulfonylpropanoic acid IUPAC Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-methylsulfonylpropanoic acid Traditional Name: 2-mesyl-3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]propionic acid Formula: C23H21NO6S MolecularWeight: 439.48094

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO6S/c1-14-19(24-22(29-14)16-6-4-3-5-7-16)13-18-12-17-10-15(8-9-20(17)30-18)11-21(23(25)26)31(2,27)28/h3-10,12,21H,11,13H2,1-2H3,(H,25,26)