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

Systemtic Name: ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[2-furanyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-(2-furoylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]isonipecotic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H28N2O4S/c1-2-27-22(26)15-9-11-24(12-10-15)14-17-16-6-3-4-8-19(16)29-21(17)23-20(25)18-7-5-13-28-18/h5,7,13,15H,2-4,6,8-12,14H2,1H3,(H,23,25)