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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F)C(=O)OCC

InChI

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