[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NOC(=C2C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NOC(=C2C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO5S/c1-14-3-9-18(10-4-14)29(25,26)12-11-20(24)27-13-19-15(2)21(28-23-19)16-5-7-17(22)8-6-16/h3-10H,11-13H2,1-2H3