ethyl 3-[[(4-cyanophenyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(4-cyanophenyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-cyanoanilino)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(4-cyanoanilino)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-cyanoanilino)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-cyanoanilino)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C19H15FN2O2S MolecularWeight: 354.398003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H15FN2O2S/c1-2-24-19(23)18-14(17-15(20)4-3-5-16(17)25-18)11-22-13-8-6-12(10-21)7-9-13/h3-9,22H,2,11H2,1H3