[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H17FN2O5S2 MolecularWeight: 400.444983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

C1=CSC(=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN2O5S2/c17-13-5-3-12(4-6-13)10-18-14(20)11-24-15(21)7-8-19-26(22,23)16-2-1-9-25-16/h1-6,9,19H,7-8,10-11H2,(H,18,20)