[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C15H13BrFNO3S MolecularWeight: 386.236023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrFNO3S/c1-9(14(19)18-8-11-3-2-6-22-11)21-15(20)12-7-10(17)4-5-13(12)16/h2-7,9H,8H2,1H3,(H,18,19)/t9-/m0/s1