[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C18H16BrClO4 MolecularWeight: 411.67424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C18H16BrClO4/c1-3-23-14-7-4-12(5-8-14)17(21)11(2)24-18(22)15-10-13(19)6-9-16(15)20/h4-11H,3H2,1-2H3/t11-/m0/s1