butyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoic acid butyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-2-3-12-26-20(25)14-6-8-15(9-7-14)21-17(24)10-11-18-22-19(23-27-18)16-5-4-13-28-16/h4-9,13H,2-3,10-12H2,1H3,(H,21,24)