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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-fluoranyl-4-methoxy-phenyl)carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-fluoro-4-methoxy-benzoyl)oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-fluoro-4-methoxyphenyl)-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-fluoro-4-methoxybenzoyl)oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(3-fluoro-4-methoxy-benzoyl)oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H15FN2O5S MolecularWeight: 378.374803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O5S/c1-3-24-17(22)14-11(10(7-19)15(20)26-14)8-25-16(21)9-4-5-13(23-2)12(18)6-9/h4-6H,3,8,20H2,1-2H3