diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]ethyl]ammonium Formula: C19H23N4O4S+ MolecularWeight: 403.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-4-21(5-2)11-12-22(18(24)14-9-10-16(27-14)23(25)26)19-20-17-13(3)7-6-8-15(17)28-19/h6-10H,4-5,11-12H2,1-3H3/p+1