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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(3-fluoro-4-methoxy-phenyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(3-fluoro-4-methoxyphenyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(3-fluoro-4-methoxy-phenyl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O5S/c1-3-25-18(23)16-12(11(8-20)17(21)27-16)9-26-15(22)7-10-4-5-14(24-2)13(19)6-10/h4-6H,3,7,9,21H2,1-2H3