diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]ethyl]ammonium Formula: C19H23N4O5S+ MolecularWeight: 419.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-4-21(5-2)10-11-22(18(24)15-8-9-17(28-15)23(25)26)19-20-14-7-6-13(27-3)12-16(14)29-19/h6-9,12H,4-5,10-11H2,1-3H3/p+1