N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)C(CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H21N3O5S/c1-13-2-4-17(28-13)16(22-6-8-27-9-7-22)12-21-20(24)19-11-14-10-15(23(25)26)3-5-18(14)29-19/h2-5,10-11,16H,6-9,12H2,1H3,(H,21,24)