ethyl 2-[1-(2-fluorophenyl)-2-nitro-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-(2-fluorophenyl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[1-(2-fluorophenyl)-2-nitro-ethyl]sulfanylacetate CAS Name: 2-[[1-(2-fluorophenyl)-2-nitroethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-fluorophenyl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[1-(2-fluorophenyl)-2-nitro-ethyl]thio]acetic acid ethyl ester Formula: C12H14FNO4S MolecularWeight: 287.307263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C[N+](=O)[O-])C1=CC=CC=C1F

Isomeric SMILES

CCOC(=O)CSC(C[N+](=O)[O-])C1=CC=CC=C1F

InChI

InChI=1S/C12H14FNO4S/c1-2-18-12(15)8-19-11(7-14(16)17)9-5-3-4-6-10(9)13/h3-6,11H,2,7-8H2,1H3