[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(phenylsulfonyl)propanoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H21NO7S/c1-26-18-9-8-15(12-20(18)27-2)19-13-16(22-29-19)14-28-21(23)10-11-30(24,25)17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3