ethyl 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]acetate CAS Name: 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]acetic acid ethyl ester Formula: C13H14BrN2O3S+ MolecularWeight: 358.23086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

Isomeric SMILES

CCOC(=O)CSCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C13H13BrN2O3S/c1-2-19-13(18)8-20-7-10-5-12(17)16-6-9(14)3-4-11(16)15-10/h3-6H,2,7-8H2,1H3/p+1