methyl 4-fluoranyl-3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-fluoro-3-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-fluoro-3-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-fluoro-3-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C17H12F4N2O5S MolecularWeight: 432.346193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F4N2O5S/c1-28-16(25)9-2-4-11(18)12(6-9)22-15(24)8-29-14-5-3-10(17(19,20)21)7-13(14)23(26)27/h2-7H,8H2,1H3,(H,22,24)