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

Systemtic Name: ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-pyridin-4-yl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(4-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[2-furanyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-pyridin-4-ylmethyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(2-furoylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(4-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-2-33-27(32)19-11-15-30(16-12-19)24(18-9-13-28-14-10-18)23-20-6-3-4-8-22(20)35-26(23)29-25(31)21-7-5-17-34-21/h5,7,9-10,13-14,17,19,24H,2-4,6,8,11-12,15-16H2,1H3,(H,29,31)