3-[2-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanethioic S-acid

Systemtic Name: 3-[2-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanethioic S-acid Openeye Name: 3-[2-[[2-(4-isopropylphenyl)-5-methyl-oxazol-4-yl]methoxy]phenyl]propanethioic S-acid CAS Name: 3-[2-[[5-methyl-2-(4-propan-2-ylphenyl)-4-oxazolyl]methoxy]phenyl]propanethioic S-acid IUPAC Name: 3-[2-[[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanethioic S-acid Traditional Name: 3-[2-[(5-methyl-2-p-cumenyl-oxazol-4-yl)methoxy]phenyl]thiopropionic acid Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(C)C)COC3=CC=CC=C3CCC(=O)S

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(C)C)COC3=CC=CC=C3CCC(=O)S

InChI

InChI=1S/C23H25NO3S/c1-15(2)17-8-10-19(11-9-17)23-24-20(16(3)27-23)14-26-21-7-5-4-6-18(21)12-13-22(25)28/h4-11,15H,12-14H2,1-3H3,(H,25,28)