methyl 4,5-dimethoxy-2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H17F3N2O7S MolecularWeight: 474.40769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17F3N2O7S/c1-29-14-7-11(18(26)31-3)12(8-15(14)30-2)23-17(25)9-32-16-5-4-10(19(20,21)22)6-13(16)24(27)28/h4-8H,9H2,1-3H3,(H,23,25)