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

Systemtic Name: methyl 4-[[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-24-18(23)13-4-2-12(3-5-13)10-19-15(22)6-7-16-20-17(21-25-16)14-8-9-26-11-14/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,22)