methyl 2-[(E)-2-cyano-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoate

Systemtic Name: methyl 2-[(E)-2-cyano-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoate Openeye Name: methyl 2-[(E)-2-cyano-2-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]vinyl]benzoate CAS Name: 2-[(E)-2-cyano-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-cyano-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoate Traditional Name: 2-[(E)-2-cyano-2-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]vinyl]benzoic acid methyl ester Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C(C#N)C2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C(\C#N)/C2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C17H11N3O3S/c1-22-17(21)13-6-3-2-5-11(13)9-12(10-18)16-19-15(20-23-16)14-7-4-8-24-14/h2-9H,1H3/b12-9+