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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)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-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [3-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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