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

Systemtic Name: N-(2-ethoxyphenyl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(2-ethoxyphenyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(2-ethoxyphenyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-5-oxo-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-o-phenetyl-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C21H18N3O3S+ MolecularWeight: 392.45092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-2-27-18-11-7-6-10-16(18)23-19(25)15-12-22-21-24(20(15)26)17(13-28-21)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,23,25)/p+1