[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC=CC=C1F)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC=CC=C1F)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O5S/c1-12(27-15-8-6-14(7-9-15)21(24)25)18(23)26-11-17(22)20-10-13-4-2-3-5-16(13)19/h2-9,12H,10-11H2,1H3,(H,20,22)/t12-/m1/s1