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

Systemtic Name: ethyl 1-[[2-(furan-2-ylcarbonylamino)-5-methyl-thiophen-3-yl]-pyridin-4-yl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(furan-2-carbonylamino)-5-methyl-3-thienyl]-(4-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[2-furanyl(oxo)methyl]amino]-5-methyl-3-thiophenyl]-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-pyridin-4-ylmethyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(2-furoylamino)-5-methyl-3-thienyl]-(4-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-3-30-24(29)18-8-12-27(13-9-18)21(17-6-10-25-11-7-17)19-15-16(2)32-23(19)26-22(28)20-5-4-14-31-20/h4-7,10-11,14-15,18,21H,3,8-9,12-13H2,1-2H3,(H,26,28)