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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-keto-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C14H12N3O5S2+ MolecularWeight: 366.39218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C14H11N3O5S2/c1-8-12(13(18)17-4-5-23-14(17)15-8)24(19,20)16-9-2-3-10-11(6-9)22-7-21-10/h2-6,16H,7H2,1H3/p+1