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

Systemtic Name: 2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-propylsulfanyl-propanoic acid Openeye Name: 2-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-propylsulfanyl-propanoic acid CAS Name: 2-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(propylthio)propanoic acid IUPAC Name: 2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-propylsulfanylpropanoic acid Traditional Name: 2-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-(propylthio)propionic acid Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C)(C1=CC2=C(C=C1)OC(=C2)CC3=C(OC(=N3)C4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CCCSC(C)(C1=CC2=C(C=C1)OC(=C2)CC3=C(OC(=N3)C4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C25H25NO4S/c1-4-12-31-25(3,24(27)28)19-10-11-22-18(13-19)14-20(30-22)15-21-16(2)29-23(26-21)17-8-6-5-7-9-17/h5-11,13-14H,4,12,15H2,1-3H3,(H,27,28)