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

Systemtic Name: 2,7-dimethyl-5-oxidanylidene-N-(thiophen-2-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: 2,7-dimethyl-5-oxo-N-(2-thienylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: 2,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: 2,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: 5-keto-2,7-dimethyl-N-(2-thenyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C13H14N3O3S3+ MolecularWeight: 356.46356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)NCC3=CC=CS3)C

Isomeric SMILES

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)NCC3=CC=CS3)C

InChI

InChI=1S/C13H13N3O3S3/c1-8-7-16-12(17)11(9(2)15-13(16)21-8)22(18,19)14-6-10-4-3-5-20-10/h3-5,7,14H,6H2,1-2H3/p+1