2-diethylaminoethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoylamino]ethanoate

Systemtic Name: 2-diethylaminoethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoylamino]ethanoate Openeye Name: 2-diethylaminoethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoylamino]acetate CAS Name: 2-[[1-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]propyl]amino]acetic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoylamino]acetate Traditional Name: 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]propanoylamino]acetic acid 2-diethylaminoethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)CNC(=O)C(C)SCC1=NC(=NO1)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCOC(=O)CNC(=O)C(C)SCC1=NC(=NO1)C2=CC=CC=C2

InChI

InChI=1S/C20H28N4O4S/c1-4-24(5-2)11-12-27-18(25)13-21-20(26)15(3)29-14-17-22-19(23-28-17)16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3,(H,21,26)