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

Systemtic Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [3-(4-methoxyphenyl)isoxazol-5-yl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [3-(4-methoxyphenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [3-(4-methoxyphenyl)isoxazol-5-yl]methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO6S/c1-15-3-9-19(10-4-15)29(24,25)12-11-21(23)27-14-18-13-20(22-28-18)16-5-7-17(26-2)8-6-16/h3-10,13H,11-12,14H2,1-2H3