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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H14N2O5S2 MolecularWeight: 378.42276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C16H14N2O5S2/c1-25(20,21)10-11-4-6-12(7-5-11)16(19)22-9-14-17-15(18-23-14)13-3-2-8-24-13/h2-8H,9-10H2,1H3