N-(6-tert-butyl-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(6-tert-butyl-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[6-tert-butyl-3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCOCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CCOCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S/c1-22(2,3)13-4-5-14-16(12-13)32-20(18(14)21(27)24-8-10-30-11-9-24)23-19(26)15-6-7-17(31-15)25(28)29/h6-7,13H,4-5,8-12H2,1-3H3,(H,23,26)