ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-ethyl-1-piperazinyl)-1-oxopropyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethylpiperazin-1-yl)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-ethylpiperazino)propanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H28FN3O3S MolecularWeight: 433.539423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C22H28FN3O3S/c1-3-25-11-13-26(14-12-25)10-9-19(27)24-21-20(22(28)29-4-2)18(15-30-21)16-5-7-17(23)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3,(H,24,27)