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

Systemtic Name: N-(furan-2-ylmethyl)-3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(2-furylmethyl)-3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(2-furanylmethyl)-3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(furan-2-ylmethyl)-3,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(2-furfuryl)-5-keto-3,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C13H14N3O4S2+ MolecularWeight: 340.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C13H13N3O4S2/c1-8-7-21-13-15-9(2)11(12(17)16(8)13)22(18,19)14-6-10-4-3-5-20-10/h3-5,7,14H,6H2,1-2H3/p+1