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

Systemtic Name: butyl 4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-[3-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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