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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic 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 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C16H12N3O3S2+ MolecularWeight: 358.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(SC=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CN(C=C1)C2=C(SC=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C16H11N3O3S2/c20-13-9-11(17-16-19(13)6-8-24-16)10-22-15(21)14-12(3-7-23-14)18-4-1-2-5-18/h1-9H,10H2/p+1