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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(2-cyanoanilino)-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-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-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-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O4S/c19-9-12-3-1-2-4-14(12)20-15(23)10-25-17(24)6-5-16-21-18(22-26-16)13-7-8-27-11-13/h1-4,7-8,11H,5-6,10H2,(H,20,23)