ethyl 5-ethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(4-fluorophenyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26FN3O3S MolecularWeight: 419.512843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C21H26FN3O3S/c1-3-17-13-18(21(27)28-4-2)20(29-17)23-19(26)14-24-9-11-25(12-10-24)16-7-5-15(22)6-8-16/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,23,26)