2-[[2-[(4-acetyloxyphenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbonyloxy]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-[(4-acetyloxyphenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbonyloxy]ethyl-diethyl-azanium Openeye Name: 2-[2-[(4-acetoxybenzoyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[2-[[(4-acetyloxyphenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[2-[(4-acetyloxybenzoyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethylazanium Traditional Name: 2-[2-[(4-acetoxybenzoyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethyl-ammonium Formula: C23H26N3O5S+ MolecularWeight: 456.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C23H25N3O5S/c1-4-26(5-2)12-13-30-22(29)17-8-11-19-20(14-17)32-23(24-19)25-21(28)16-6-9-18(10-7-16)31-15(3)27/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,25,28)/p+1