ethyl 5-(4-fluorophenyl)-3-(3-phenylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-(3-phenylpropanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-3-(3-phenylpropanoylamino)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-[(1-oxo-3-phenylpropyl)amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-(3-phenylpropanoylamino)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)-3-(hydrocinnamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C22H20FNO3S MolecularWeight: 397.462503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H20FNO3S/c1-2-27-22(26)21-18(14-19(28-21)16-9-11-17(23)12-10-16)24-20(25)13-8-15-6-4-3-5-7-15/h3-7,9-12,14H,2,8,13H2,1H3,(H,24,25)