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

Systemtic Name: N-(3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-ethoxy-benzamide Openeye Name: N-(3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-ethoxy-benzamide CAS Name: N-(3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-ethoxybenzamide IUPAC Name: N-(3,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-ethoxybenzamide Traditional Name: 4-ethoxy-N-(5-keto-3,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)benzamide Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC3=[N+](C2=O)C(=CS3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC3=[N+](C2=O)C(=CS3)C)C

InChI

InChI=1S/C17H17N3O3S/c1-4-23-13-7-5-12(6-8-13)15(21)19-14-11(3)18-17-20(16(14)22)10(2)9-24-17/h5-9H,4H2,1-3H3,(H,19,21)/p+1