5-(4-fluorophenyl)-3-(2-phenylpropylcarbamoylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(4-fluorophenyl)-3-(2-phenylpropylcarbamoylamino)thiophene-2-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-3-(2-phenylpropylcarbamoylamino)thiophene-2-carboxylic acid CAS Name: 5-(4-fluorophenyl)-3-[[oxo-(2-phenylpropylamino)methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-3-(2-phenylpropylcarbamoylamino)thiophene-2-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-3-(2-phenylpropylcarbamoylamino)-2-thenoic acid Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)F)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)F)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H19FN2O3S/c1-13(14-5-3-2-4-6-14)12-23-21(27)24-17-11-18(28-19(17)20(25)26)15-7-9-16(22)10-8-15/h2-11,13H,12H2,1H3,(H,25,26)(H2,23,24,27)