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

Systemtic Name: ethyl 3-[[[2-(cyclopropylcarbamoyl)phenyl]amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(cyclopropylcarbamoyl)anilino]methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[2-[(cyclopropylamino)-oxomethyl]anilino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(cyclopropylcarbamoyl)anilino]methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-(cyclopropylcarbamoyl)anilino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C22H21FN2O3S/c1-2-28-22(27)20-15(19-16(23)7-5-9-18(19)29-20)12-24-17-8-4-3-6-14(17)21(26)25-13-10-11-13/h3-9,13,24H,2,10-12H2,1H3,(H,25,26)