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

Systemtic Name: ethyl 5-ethyl-2-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(4-fluorobenzyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F)C(=O)OCC

InChI

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