[(2R)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(4-chloro-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-(4-chloro-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14ClFN2O5S MolecularWeight: 412.819863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClFN2O5S/c1-9(16(22)20-13-5-4-11(18)8-12(13)19)26-17(23)10-3-6-15(27-2)14(7-10)21(24)25/h3-9H,1-2H3,(H,20,22)/t9-/m1/s1