(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]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-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C20H21N3O5S/c1-2-3-9-26-16-6-4-14(5-7-16)20(25)21-11-18(24)27-12-17-22-19(23-28-17)15-8-10-29-13-15/h4-8,10,13H,2-3,9,11-12H2,1H3,(H,21,25)