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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic 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-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H20N2O4S/c1-13(2)14-5-7-15(8-6-14)20-21-18(26-22-20)12-25-19(24)10-9-16(23)17-4-3-11-27-17/h3-8,11,13H,9-10,12H2,1-2H3