2-[[6-bromanyl-3-ethoxycarbonyl-2-[(4-nitrophenyl)carbonylamino]-1-benzothiophen-7-yl]oxy]ethyl-diethyl-azanium

Systemtic Name: 2-[[6-bromanyl-3-ethoxycarbonyl-2-[(4-nitrophenyl)carbonylamino]-1-benzothiophen-7-yl]oxy]ethyl-diethyl-azanium Openeye Name: 2-[6-bromo-3-ethoxycarbonyl-2-[(4-nitrobenzoyl)amino]benzothiophen-7-yl]oxyethyl-diethyl-ammonium CAS Name: 2-[[6-bromo-3-ethoxycarbonyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-benzothiophen-7-yl]oxy]ethyl-diethylammonium IUPAC Name: 2-[[6-bromo-3-ethoxycarbonyl-2-[(4-nitrobenzoyl)amino]-1-benzothiophen-7-yl]oxy]ethyl-diethylazanium Traditional Name: 2-[6-bromo-3-carbethoxy-2-[(4-nitrobenzoyl)amino]benzothiophen-7-yl]oxyethyl-diethyl-ammonium Formula: C24H27BrN3O6S+ MolecularWeight: 565.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C24H26BrN3O6S/c1-4-27(5-2)13-14-34-20-18(25)12-11-17-19(24(30)33-6-3)23(35-21(17)20)26-22(29)15-7-9-16(10-8-15)28(31)32/h7-12H,4-6,13-14H2,1-3H3,(H,26,29)/p+1