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

Systemtic Name: ethyl 1-[(2-fluorophenyl)-[2-(furan-2-ylcarbonylamino)-5-methyl-thiophen-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-fluorophenyl)-[2-(furan-2-carbonylamino)-5-methyl-3-thienyl]methyl]piperidine-4-carboxylate CAS Name: 1-[(2-fluorophenyl)-[2-[[2-furanyl(oxo)methyl]amino]-5-methyl-3-thiophenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-fluorophenyl)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(2-fluorophenyl)-[2-(2-furoylamino)-5-methyl-3-thienyl]methyl]isonipecotic acid ethyl ester Formula: C25H27FN2O4S MolecularWeight: 470.556283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2F)C3=C(SC(=C3)C)NC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2F)C3=C(SC(=C3)C)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27FN2O4S/c1-3-31-25(30)17-10-12-28(13-11-17)22(18-7-4-5-8-20(18)26)19-15-16(2)33-24(19)27-23(29)21-9-6-14-32-21/h4-9,14-15,17,22H,3,10-13H2,1-2H3,(H,27,29)