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

Systemtic Name: ethyl 4-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-pyridin-4-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(4-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[2-furanyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-pyridin-4-ylmethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-pyridin-4-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(2-furoylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(4-pyridyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=NC=C2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CC=NC=C2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C26H30N4O4S/c1-2-33-26(32)30-15-13-29(14-16-30)23(18-9-11-27-12-10-18)22-19-6-3-4-8-21(19)35-25(22)28-24(31)20-7-5-17-34-20/h5,7,9-12,17,23H,2-4,6,8,13-16H2,1H3,(H,28,31)