[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H17FN2O4S MolecularWeight: 352.380583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=CC2=C(S1)C=CC(=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)C1=CC2=C(S1)C=CC(=C2)F

InChI

InChI=1S/C16H17FN2O4S/c1-8(2)18-16(22)19-14(20)9(3)23-15(21)13-7-10-6-11(17)4-5-12(10)24-13/h4-9H,1-3H3,(H2,18,19,20,22)/t9-/m0/s1