ethyl 2-(2-bromanylpyrido[1,2-b]cinnolin-6-ium-11-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-bromanylpyrido[1,2-b]cinnolin-6-ium-11-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-bromopyrido[1,2-b]cinnolin-6-ium-11-yl)sulfanylacetate CAS Name: 2-[(2-bromo-11-pyrido[1,2-b]cinnolin-6-iumyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-bromopyrido[1,2-b]cinnolin-6-ium-11-yl)sulfanylacetate Traditional Name: 2-[(2-bromopyrido[1,2-b]cinnolin-6-ium-11-yl)thio]acetic acid ethyl ester Formula: C16H14BrN2O2S+ MolecularWeight: 378.26356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C=C(C=CC2=N[N+]3=CC=CC=C13)Br

Isomeric SMILES

CCOC(=O)CSC1=C2C=C(C=CC2=N[N+]3=CC=CC=C13)Br

InChI

InChI=1S/C16H14BrN2O2S/c1-2-21-15(20)10-22-16-12-9-11(17)6-7-13(12)18-19-8-4-3-5-14(16)19/h3-9H,2,10H2,1H3/q+1