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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-keto-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C20H14N3O4S+ MolecularWeight: 392.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CNC4=[N+](C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CNC4=[N+](C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C20H13N3O4S/c24-18(22-13-6-7-16-17(8-13)27-11-26-16)14-9-21-20-23(19(14)25)15(10-28-20)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,24)/p+1