3-(3-bromanyl-5-nitro-phenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one

Systemtic Name: 3-(3-bromanyl-5-nitro-phenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one Openeye Name: 3-(3-bromo-5-nitro-phenyl)-5,5-dimethyl-2-morpholino-4,6-dihydrobenzothiophen-7-one CAS Name: 3-(3-bromo-5-nitrophenyl)-5,5-dimethyl-2-(4-morpholinyl)-4,6-dihydro-1-benzothiophen-7-one IUPAC Name: 3-(3-bromo-5-nitrophenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one Traditional Name: 3-(3-bromo-5-nitro-phenyl)-5,5-dimethyl-2-morpholino-4,6-dihydrobenzothiophen-7-one Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=C2C3=CC(=CC(=C3)Br)[N+](=O)[O-])N4CCOCC4)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=C2C3=CC(=CC(=C3)Br)[N+](=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C20H21BrN2O4S/c1-20(2)10-15-17(12-7-13(21)9-14(8-12)23(25)26)19(22-3-5-27-6-4-22)28-18(15)16(24)11-20/h7-9H,3-6,10-11H2,1-2H3