[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-(cyanomethylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-(cyanomethylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-(cyanomethylsulfonylmethyl)benzoate CAS Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-(cyanomethylsulfonylmethyl)benzoate Traditional Name: 4-(cyanomethylsulfonylmethyl)benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S2/c19-8-11-27(23,24)13-14-3-5-15(6-4-14)18(22)25-12-17(21)20-9-7-16-2-1-10-26-16/h1-6,10H,7,9,11-13H2,(H,20,21)