ethyl 5-azanyl-4-cyano-3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[2-nitro-4-(trifluoromethyl)anilino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[2-nitro-4-(trifluoromethyl)anilino]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[2-nitro-4-(trifluoromethyl)anilino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[2-nitro-4-(trifluoromethyl)anilino]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H15F3N4O6S MolecularWeight: 472.39511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N4O6S/c1-2-30-17(27)15-11(10(6-22)16(23)32-15)8-31-14(26)7-24-12-4-3-9(18(19,20)21)5-13(12)25(28)29/h3-5,24H,2,7-8,23H2,1H3