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

Systemtic Name: methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C17H13F3N2O5S MolecularWeight: 414.35573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O5S/c1-27-16(24)10-2-5-12(6-3-10)21-15(23)9-28-14-7-4-11(17(18,19)20)8-13(14)22(25)26/h2-8H,9H2,1H3,(H,21,23)