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

Systemtic Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O5S/c1-11(17(22)20-10-12-3-6-14(19)7-4-12)26-18(23)13-5-8-16(27-2)15(9-13)21(24)25/h3-9,11H,10H2,1-2H3,(H,20,22)/t11-/m1/s1