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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[[4-(trifluoromethyl)phenyl]carbonylamino]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H16F3N3O5S MolecularWeight: 455.40765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O5S/c1-2-29-18(28)15-13(12(7-23)16(24)31-15)9-30-14(26)8-25-17(27)10-3-5-11(6-4-10)19(20,21)22/h3-6H,2,8-9,24H2,1H3,(H,25,27)