ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-thiophen-2-yl-methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-thiophen-2-yl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(2-thienyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[2-furanyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(2-furoylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(2-thienyl)methyl]isonipecotic acid ethyl ester Formula: C26H30N2O4S2 MolecularWeight: 498.6574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=CS2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=CS2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C26H30N2O4S2/c1-2-31-26(30)17-11-13-28(14-12-17)23(21-10-6-16-33-21)22-18-7-3-4-9-20(18)34-25(22)27-24(29)19-8-5-15-32-19/h5-6,8,10,15-17,23H,2-4,7,9,11-14H2,1H3,(H,27,29)