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

Systemtic Name: ethyl 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-octylsulfanyl-propanoate Openeye Name: ethyl 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-octylsulfanyl-propanoate CAS Name: 3-[2-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-5-benzofuranyl]-2-(octylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-octylsulfanylpropanoate Traditional Name: 3-[2-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]benzofuran-5-yl]-2-(octylthio)propionic acid ethyl ester Formula: C32H39NO4S MolecularWeight: 533.72136

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C32H39NO4S/c1-4-6-7-8-9-13-18-38-30(32(34)35-5-2)20-24-16-17-29-26(19-24)21-27(37-29)22-28-23(3)36-31(33-28)25-14-11-10-12-15-25/h10-12,14-17,19,21,30H,4-9,13,18,20,22H2,1-3H3