ethyl 5-azanyl-4-cyano-3-[[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(4-fluorophenyl)-4-oxo-butanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-fluorophenyl)-1,4-dioxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(4-fluorophenyl)-4-oxobutanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(4-fluorophenyl)-4-keto-butanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H17FN2O5S MolecularWeight: 404.412083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN2O5S/c1-2-26-19(25)17-14(13(9-21)18(22)28-17)10-27-16(24)8-7-15(23)11-3-5-12(20)6-4-11/h3-6H,2,7-8,10,22H2,1H3