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

Systemtic Name: ethyl 5-azanyl-3-[(5-bromanyl-2-fluoranyl-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(5-bromo-2-fluoro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(5-bromo-2-fluorophenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(5-bromo-2-fluorobenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(5-bromo-2-fluoro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H12BrFN2O4S MolecularWeight: 427.244883

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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=CC(=C2)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrFN2O4S/c1-2-23-16(22)13-11(10(6-19)14(20)25-13)7-24-15(21)9-5-8(17)3-4-12(9)18/h3-5H,2,7,20H2,1H3