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

Systemtic Name: ethyl 4-[[2-(furan-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-thiophen-2-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(2-thienyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[2-furanyl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-thiophen-2-ylmethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-thiophen-2-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[[2-(2-furoylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-(2-thienyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=CS2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CC=CS2)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C25H29N3O4S2/c1-2-31-25(30)28-13-11-27(12-14-28)22(20-10-6-16-33-20)21-17-7-3-4-9-19(17)34-24(21)26-23(29)18-8-5-15-32-18/h5-6,8,10,15-16,22H,2-4,7,9,11-14H2,1H3,(H,26,29)