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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfonylbenzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic 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-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H12N2O5S2 MolecularWeight: 364.39618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5S2/c1-24(19,20)12-4-2-10(3-5-12)15(18)21-8-13-16-14(17-22-13)11-6-7-23-9-11/h2-7,9H,8H2,1H3