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

Systemtic Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-methylsulfanyl-propanoic acid Openeye Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-methylsulfanyl-propanoic acid CAS Name: 3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(methylthio)propanoic acid IUPAC Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-methylsulfanylpropanoic acid Traditional Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-(methylthio)propionic acid Formula: C23H21NO4S MolecularWeight: 407.48214

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4S/c1-14-19(24-22(27-14)16-6-4-3-5-7-16)13-18-12-17-10-15(8-9-20(17)28-18)11-21(29-2)23(25)26/h3-10,12,21H,11,13H2,1-2H3,(H,25,26)