(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 5-ethanoylthiophene-2-carboxylate

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 5-ethanoylthiophene-2-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C14H11N2O4S2+ MolecularWeight: 335.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C14H10N2O4S2/c1-8(17)10-2-3-11(22-10)13(19)20-7-9-6-12(18)16-4-5-21-14(16)15-9/h2-6H,7H2,1H3/p+1