[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-24(2)16-5-3-14(4-6-16)11-21-17(25)12-27-19(26)8-7-18-22-20(23-28-18)15-9-10-29-13-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,21,25)