[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C14H17BrN2O6 MolecularWeight: 389.19858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O6/c1-7(12(18)17-14(20)16-2)23-13(19)8-5-9(21-3)11(15)10(6-8)22-4/h5-7H,1-4H3,(H2,16,17,18,20)/t7-/m0/s1