[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(phenylsulfonyl)propanoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S/c1-2-15-8-10-16(11-9-15)20-21-18(27-22-20)14-26-19(23)12-13-28(24,25)17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3