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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H14N2O5S2 MolecularWeight: 402.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N

InChI

InChI=1S/C18H14N2O5S2/c19-7-9-27(22,23)12-13-3-5-14(6-4-13)18(21)24-11-15-10-16(25-20-15)17-2-1-8-26-17/h1-6,8,10H,9,11-12H2