ethyl 2-(7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-yl)ethanoate

Systemtic Name: ethyl 2-(7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-yl)ethanoate Openeye Name: ethyl 2-(7-methylsulfanylthiazolo[3,2-a]pyrimidin-4-ium-3-yl)acetate CAS Name: 2-[7-(methylthio)-3-thiazolo[3,2-a]pyrimidin-4-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-methylsulfanyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-yl)acetate Traditional Name: 2-[7-(methylthio)thiazolo[3,2-a]pyrimidin-4-ium-3-yl]acetic acid ethyl ester Formula: C11H13N2O2S2+ MolecularWeight: 269.36312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC2=[N+]1C=CC(=N2)SC

Isomeric SMILES

CCOC(=O)CC1=CSC2=[N+]1C=CC(=N2)SC

InChI

InChI=1S/C11H13N2O2S2/c1-3-15-10(14)6-8-7-17-11-12-9(16-2)4-5-13(8)11/h4-5,7H,3,6H2,1-2H3/q+1