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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic 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 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S2/c1-10-5-6-11(25(2,20)21)8-12(10)16(19)22-9-14-17-15(18-23-14)13-4-3-7-24-13/h3-8H,9H2,1-2H3