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

Systemtic Name: 3-[2-methyl-4-[2-[4-methyl-2-(4-phenylsulfanylphenyl)-1,3-oxazol-5-yl]propoxy]phenyl]propanoic acid Openeye Name: 3-[2-methyl-4-[2-[4-methyl-2-(4-phenylsulfanylphenyl)oxazol-5-yl]propoxy]phenyl]propanoic acid CAS Name: 3-[2-methyl-4-[2-[4-methyl-2-[4-(phenylthio)phenyl]-5-oxazolyl]propoxy]phenyl]propanoic acid IUPAC Name: 3-[2-methyl-4-[2-[4-methyl-2-(4-phenylsulfanylphenyl)-1,3-oxazol-5-yl]propoxy]phenyl]propanoic acid Traditional Name: 3-[2-methyl-4-[2-[4-methyl-2-[4-(phenylthio)phenyl]oxazol-5-yl]propoxy]phenyl]propionic acid Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C)C2=C(N=C(O2)C3=CC=C(C=C3)SC4=CC=CC=C4)C)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(C)C2=C(N=C(O2)C3=CC=C(C=C3)SC4=CC=CC=C4)C)CCC(=O)O

InChI

InChI=1S/C29H29NO4S/c1-19-17-24(13-9-22(19)12-16-27(31)32)33-18-20(2)28-21(3)30-29(34-28)23-10-14-26(15-11-23)35-25-7-5-4-6-8-25/h4-11,13-15,17,20H,12,16,18H2,1-3H3,(H,31,32)