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

Systemtic Name: [(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15FN2O5S MolecularWeight: 378.374803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O5S/c1-10(16(21)19-13-5-3-4-12(18)9-13)25-17(22)11-6-7-15(26-2)14(8-11)20(23)24/h3-10H,1-2H3,(H,19,21)/t10-/m1/s1