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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic 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 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C18H15N4O4S+ MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O4S/c1-25-14-10-22(13-5-3-2-4-6-13)20-16(14)17(24)26-11-12-9-15(23)21-7-8-27-18(21)19-12/h2-10H,11H2,1H3/p+1