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

Systemtic Name: methyl 5-morpholin-4-yl-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate Openeye Name: methyl 5-morpholino-2-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate CAS Name: 5-(4-morpholinyl)-2-[[1-oxo-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-morpholin-4-yl-2-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate Traditional Name: 5-morpholino-2-[3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoic acid methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H22N4O5S/c1-28-21(27)15-13-14(25-8-10-29-11-9-25)4-5-16(15)22-18(26)6-7-19-23-20(24-30-19)17-3-2-12-31-17/h2-5,12-13H,6-11H2,1H3,(H,22,26)