[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)Br)O

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)Br)O

InChI

InChI=1S/C13H15BrN2O5/c1-3-15-13(20)16-11(18)7(2)21-12(19)9-6-8(14)4-5-10(9)17/h4-7,17H,3H2,1-2H3,(H2,15,16,18,20)/t7-/m0/s1