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

Systemtic Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-octylsulfanyl-propanoic acid Openeye Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-octylsulfanyl-propanoic acid CAS Name: 3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(octylthio)propanoic acid IUPAC Name: 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-octylsulfanylpropanoic acid Traditional Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-(octylthio)propionic acid Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CC1=CC2=C(C=C1)OC(=C2)CC3=C(OC(=N3)C4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CCCCCCCCSC(CC1=CC2=C(C=C1)OC(=C2)CC3=C(OC(=N3)C4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C30H35NO4S/c1-3-4-5-6-7-11-16-36-28(30(32)33)18-22-14-15-27-24(17-22)19-25(35-27)20-26-21(2)34-29(31-26)23-12-9-8-10-13-23/h8-10,12-15,17,19,28H,3-7,11,16,18,20H2,1-2H3,(H,32,33)