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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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