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

Systemtic Name: ethyl 3-[[(3-cyanophenyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(3-cyanoanilino)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(3-cyanoanilino)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyanoanilino)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(3-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=CC(=C3)C#N

Isomeric SMILES

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

InChI

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