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

Systemtic Name: ethyl 1-[1,3-benzodioxol-5-yl-[2-(furan-2-ylcarbonylamino)-5-methyl-thiophen-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1,3-benzodioxol-5-yl-[2-(furan-2-carbonylamino)-5-methyl-3-thienyl]methyl]piperidine-4-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl-[2-[[2-furanyl(oxo)methyl]amino]-5-methyl-3-thiophenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1,3-benzodioxol-5-yl-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[1,3-benzodioxol-5-yl-[2-(2-furoylamino)-5-methyl-3-thienyl]methyl]isonipecotic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2)OCO3)C4=C(SC(=C4)C)NC(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC3=C(C=C2)OCO3)C4=C(SC(=C4)C)NC(=O)C5=CC=CO5

InChI

InChI=1S/C26H28N2O6S/c1-3-31-26(30)17-8-10-28(11-9-17)23(18-6-7-20-22(14-18)34-15-33-20)19-13-16(2)35-25(19)27-24(29)21-5-4-12-32-21/h4-7,12-14,17,23H,3,8-11,15H2,1-2H3,(H,27,29)