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

Systemtic Name: ethyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H15F3N2O5S MolecularWeight: 428.38231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O5S/c1-2-28-17(25)11-3-6-13(7-4-11)22-16(24)10-29-15-8-5-12(18(19,20)21)9-14(15)23(26)27/h3-9H,2,10H2,1H3,(H,22,24)