(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C18H18N3O4S2+ MolecularWeight: 404.48322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H17N3O4S2/c22-15-10-13(19-18-21(15)7-9-27-18)11-25-17(24)12-3-5-20(6-4-12)16(23)14-2-1-8-26-14/h1-2,7-10,12H,3-6,11H2/p+1