ethyl 2-[1,3-benzothiazol-5-yl(pyrazin-1-ium-1-ylcarbonyl)amino]ethanoate

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yl(pyrazin-1-ium-1-ylcarbonyl)amino]ethanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yl(pyrazin-1-ium-1-carbonyl)amino]acetate CAS Name: 2-[1,3-benzothiazol-5-yl-[oxo(1-pyrazin-1-iumyl)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yl(pyrazin-1-ium-1-carbonyl)amino]acetate Traditional Name: 2-[1,3-benzothiazol-5-yl(pyrazin-1-ium-1-carbonyl)amino]acetic acid ethyl ester Formula: C16H15N4O3S+ MolecularWeight: 343.3803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)[N+]3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)[N+]3=CC=NC=C3

InChI

InChI=1S/C16H15N4O3S/c1-2-23-15(21)10-20(16(22)19-7-5-17-6-8-19)12-3-4-14-13(9-12)18-11-24-14/h3-9,11H,2,10H2,1H3/q+1