[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C18H17FN2O5S/c19-14-3-1-13(2-4-14)9-10-20-17(22)11-26-18(23)12-27-16-7-5-15(6-8-16)21(24)25/h1-8H,9-12H2,(H,20,22)