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

Systemtic Name: butyl 2-[1-(2-fluorophenyl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: butyl 2-[1-(2-fluorophenyl)-2-nitro-ethyl]sulfanylacetate CAS Name: 2-[[1-(2-fluorophenyl)-2-nitroethyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[1-(2-fluorophenyl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[1-(2-fluorophenyl)-2-nitro-ethyl]thio]acetic acid butyl ester Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO4S/c1-2-3-8-20-14(17)10-21-13(9-16(18)19)11-6-4-5-7-12(11)15/h4-7,13H,2-3,8-10H2,1H3