(4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CSC(=C1)C(=O)CCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H18N2O5S2/c19-10-3-11-20-27(23,24)15-8-6-14(7-9-15)18(22)25-12-1-4-16(21)17-5-2-13-26-17/h2,5-9,13,20H,1,3-4,11-12H2