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

Systemtic Name: ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-phenyl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-phenyl-methyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[2-furanyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-phenylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-phenylmethyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(2-furoylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-phenyl-methyl]isonipecotic acid ethyl ester Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4S/c1-2-33-28(32)20-14-16-30(17-15-20)25(19-9-4-3-5-10-19)24-21-11-6-7-13-23(21)35-27(24)29-26(31)22-12-8-18-34-22/h3-5,8-10,12,18,20,25H,2,6-7,11,13-17H2,1H3,(H,29,31)