ethyl 4-[[5-ethyl-2-(furan-2-ylcarbonylamino)thiophen-3-yl]-(3-fluorophenyl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-ethyl-2-(furan-2-ylcarbonylamino)thiophen-3-yl]-(3-fluorophenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-ethyl-2-(furan-2-carbonylamino)-3-thienyl]-(3-fluorophenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[5-ethyl-2-[[2-furanyl(oxo)methyl]amino]-3-thiophenyl]-(3-fluorophenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-ethyl-2-(furan-2-carbonylamino)thiophen-3-yl]-(3-fluorophenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-ethyl-2-(2-furoylamino)-3-thienyl]-(3-fluorophenyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CO2)C(C3=CC(=CC=C3)F)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CO2)C(C3=CC(=CC=C3)F)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C25H28FN3O4S/c1-3-19-16-20(24(34-19)27-23(30)21-9-6-14-33-21)22(17-7-5-8-18(26)15-17)28-10-12-29(13-11-28)25(31)32-4-2/h5-9,14-16,22H,3-4,10-13H2,1-2H3,(H,27,30)