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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-(trifluoromethyl)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[oxo-[3-(trifluoromethyl)phenyl]methoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H13F3N2O4S MolecularWeight: 398.35633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O4S/c1-2-25-16(24)13-12(11(7-21)14(22)27-13)8-26-15(23)9-4-3-5-10(6-9)17(18,19)20/h3-6H,2,8,22H2,1H3