[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H22N2O4S/c1-13(2)15-5-7-16(8-6-15)21-22-19(27-23-21)12-26-20(25)11-9-17(24)18-10-4-14(3)28-18/h4-8,10,13H,9,11-12H2,1-3H3