N-(4-ethanoylphenyl)-2,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide

Systemtic Name: N-(4-ethanoylphenyl)-2,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(4-acetylphenyl)-2,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(4-acetylphenyl)-2,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(4-acetylphenyl)-2,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(4-acetylphenyl)-5-keto-2,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C16H16N3O4S2+ MolecularWeight: 378.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)NC3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)NC3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C16H15N3O4S2/c1-9-8-19-15(21)14(10(2)17-16(19)24-9)25(22,23)18-13-6-4-12(5-7-13)11(3)20/h4-8H,1-3H3,(H,18,20)/p+1