[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H18FNO5S2 MolecularWeight: 399.456923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FNO5S2/c1-12(17(21)19-11-14-3-2-9-25-14)24-16(20)8-10-26(22,23)15-6-4-13(18)5-7-15/h2-7,9,12H,8,10-11H2,1H3,(H,19,21)/t12-/m1/s1