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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)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 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CC#N)C(=O)OCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CC#N)C(=O)OCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C17H13N3O5S2/c18-6-8-27(22,23)11-12-1-3-13(4-2-12)17(21)24-9-15-19-16(20-25-15)14-5-7-26-10-14/h1-5,7,10H,8-9,11H2