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

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

Isomeric SMILES

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

InChI

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