ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxylic acid ethyl ester Formula: C13H15N2O5S+ MolecularWeight: 311.3336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=CSC2=[N+]1C(=O)C(=CN2)C(=O)OCC

InChI

InChI=1S/C13H14N2O5S/c1-3-19-10(16)5-8-7-21-13-14-6-9(11(17)15(8)13)12(18)20-4-2/h6-7H,3-5H2,1-2H3/p+1