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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(4-fluorophenyl)sulfanyl-3-nitro-benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 4-(4-fluorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-fluorophenyl)thio]-3-nitrobenzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-fluorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-fluorophenyl)thio]-3-nitro-benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H13FN2O5S MolecularWeight: 364.348223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13FN2O5S/c1-9(15(18)20)24-16(21)10-2-7-14(13(8-10)19(22)23)25-12-5-3-11(17)4-6-12/h2-9H,1H3,(H2,18,20)/t9-/m1/s1