ethyl 3-[[(5-acetamido-2-methoxy-phenyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(5-acetamido-2-methoxy-phenyl)amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(5-acetamido-2-methoxy-anilino)methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[(5-acetamido-2-methoxyanilino)methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-acetamido-2-methoxyanilino)methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(5-acetamido-2-methoxy-anilino)methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=C(C=CC(=C3)NC(=O)C)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=C(C=CC(=C3)NC(=O)C)OC

InChI

InChI=1S/C21H21FN2O4S/c1-4-28-21(26)20-14(19-15(22)6-5-7-18(19)29-20)11-23-16-10-13(24-12(2)25)8-9-17(16)27-3/h5-10,23H,4,11H2,1-3H3,(H,24,25)