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

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16ClFN2O4 MolecularWeight: 378.782043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFN2O4/c1-10(26-18(25)15-9-12(19)3-8-16(15)20)17(24)22-14-6-4-13(5-7-14)21-11(2)23/h3-10H,1-2H3,(H,21,23)(H,22,24)/t10-/m0/s1