[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClFNO4 MolecularWeight: 363.767403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C18H15ClFNO4/c1-10(22)12-3-6-14(7-4-12)21-17(23)11(2)25-18(24)15-9-13(19)5-8-16(15)20/h3-9,11H,1-2H3,(H,21,23)/t11-/m0/s1