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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-[3-(trifluoromethyl)phenyl]ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-[3-(trifluoromethyl)phenyl]ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O4S/c1-2-26-17(25)15-13(12(8-22)16(23)28-15)9-27-14(24)7-10-4-3-5-11(6-10)18(19,20)21/h3-6H,2,7,9,23H2,1H3