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

Systemtic Name: N-(2-ethoxyphenyl)-3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(2-ethoxyphenyl)-3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(2-ethoxyphenyl)-3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(2-ethoxyphenyl)-3,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: 5-keto-3,7-dimethyl-N-o-phenetyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C16H18N3O4S2+ MolecularWeight: 380.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NS(=O)(=O)C2=C(NC3=[N+](C2=O)C(=CS3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NS(=O)(=O)C2=C(NC3=[N+](C2=O)C(=CS3)C)C

InChI

InChI=1S/C16H17N3O4S2/c1-4-23-13-8-6-5-7-12(13)18-25(21,22)14-11(3)17-16-19(15(14)20)10(2)9-24-16/h5-9,18H,4H2,1-3H3/p+1