(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C24H22N3O6S+ MolecularWeight: 480.51298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)NC(=O)CC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)[N+]3=CC=CC=C3N2)NC(=O)CC4=CC=CS4)OC

InChI

InChI=1S/C24H21N3O6S/c1-31-19-12-17(18(13-20(19)32-2)26-22(28)11-16-6-5-9-34-16)24(30)33-14-15-10-23(29)27-8-4-3-7-21(27)25-15/h3-10,12-13H,11,14H2,1-2H3,(H,26,28,30)/p+1