ethyl 3-[4-[3-(4-fluorophenyl)-4-methylsulfonyl-phenyl]-1,3-oxazol-2-yl]propanoate

Systemtic Name: ethyl 3-[4-[3-(4-fluorophenyl)-4-methylsulfonyl-phenyl]-1,3-oxazol-2-yl]propanoate Openeye Name: ethyl 3-[4-[3-(4-fluorophenyl)-4-methylsulfonyl-phenyl]oxazol-2-yl]propanoate CAS Name: 3-[4-[3-(4-fluorophenyl)-4-methylsulfonylphenyl]-2-oxazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[3-(4-fluorophenyl)-4-methylsulfonylphenyl]-1,3-oxazol-2-yl]propanoate Traditional Name: 3-[4-[3-(4-fluorophenyl)-4-mesyl-phenyl]oxazol-2-yl]propionic acid ethyl ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC(=CO1)C2=CC(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CCC1=NC(=CO1)C2=CC(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO5S/c1-3-27-21(24)11-10-20-23-18(13-28-20)15-6-9-19(29(2,25)26)17(12-15)14-4-7-16(22)8-5-14/h4-9,12-13H,3,10-11H2,1-2H3