[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [(1R)-2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C16H17BrN2O6 MolecularWeight: 413.21998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2)OC)Br)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C(=C2)OC)Br)OC

InChI

InChI=1S/C16H17BrN2O6/c1-8-5-13(19-25-8)18-15(20)9(2)24-16(21)10-6-11(22-3)14(17)12(7-10)23-4/h5-7,9H,1-4H3,(H,18,19,20)/t9-/m1/s1