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

Systemtic Name: ethyl 1-[(3-fluorophenyl)-[2-(furan-2-ylcarbonylamino)-5-methyl-thiophen-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-fluorophenyl)-[2-(furan-2-carbonylamino)-5-methyl-3-thienyl]methyl]piperidine-4-carboxylate CAS Name: 1-[(3-fluorophenyl)-[2-[[2-furanyl(oxo)methyl]amino]-5-methyl-3-thiophenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-fluorophenyl)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-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=C2)F)C3=C(SC(=C3)C)NC(=O)C4=CC=CO4

Isomeric SMILES

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

InChI

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