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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S2/c19-8-2-9-20-28(23,24)15-6-4-13(5-7-15)18(22)25-12-14-11-16(26-21-14)17-3-1-10-27-17/h1,3-7,10-11,20H,2,9,12H2