N-(2-methoxy-5-nitro-phenyl)-7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(2-methoxy-5-nitrophenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-7-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: 5-keto-N-(2-methoxy-5-nitro-phenyl)-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C14H13N4O6S2+ MolecularWeight: 397.40622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C14H12N4O6S2/c1-8-12(13(19)17-5-6-25-14(17)15-8)26(22,23)16-10-7-9(18(20)21)3-4-11(10)24-2/h3-7,16H,1-2H3/p+1