[(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [(2S)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [(1S)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20FN3O4 MolecularWeight: 325.335403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=C(C=C(C=C1)F)N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)C1=C(C=C(C=C1)F)N

InChI

InChI=1S/C15H20FN3O4/c1-8(12(20)18-14(22)19-15(2,3)4)23-13(21)10-6-5-9(16)7-11(10)17/h5-8H,17H2,1-4H3,(H2,18,19,20,22)/t8-/m0/s1