(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H13N3O3S MolecularWeight: 387.41122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H13N3O3S/c22-11-14-5-1-2-6-16(14)17-7-3-4-8-18(17)21(25)26-12-19-23-20(24-27-19)15-9-10-28-13-15/h1-10,13H,12H2