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

Systemtic Name: ethyl 5-azanyl-3-[[2-azanyl-4-(trifluoromethyl)phenyl]carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-amino-4-(trifluoromethyl)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[[2-amino-4-(trifluoromethyl)phenyl]-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-amino-4-(trifluoromethyl)benzoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-amino-4-(trifluoromethyl)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C17H14F3N3O4S MolecularWeight: 413.37097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O4S/c1-2-26-16(25)13-11(10(6-21)14(23)28-13)7-27-15(24)9-4-3-8(5-12(9)22)17(18,19)20/h3-5H,2,7,22-23H2,1H3