(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C19H20N2O4S/c1-19(2,3)14-4-6-15(7-5-14)23-11-17(22)24-10-16-20-18(21-25-16)13-8-9-26-12-13/h4-9,12H,10-11H2,1-3H3