ethyl 3-[[4-(2-cyanoethanoylamino)phenyl]carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[4-(2-cyanoethanoylamino)phenyl]carbonyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H17FN2O5S/c1-2-29-22(28)20-15(19-16(23)4-3-5-17(19)31-20)12-30-21(27)13-6-8-14(9-7-13)25-18(26)10-11-24/h3-9H,2,10,12H2,1H3,(H,25,26)