ethyl 2-(7-oxidanylidene-2-thiophen-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl)ethanoate

Systemtic Name: ethyl 2-(7-oxidanylidene-2-thiophen-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl)ethanoate Openeye Name: ethyl 2-[7-oxo-2-(2-thienyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl]acetate CAS Name: 2-(7-oxo-2-thiophen-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(7-oxo-2-thiophen-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl)acetate Traditional Name: 2-[7-keto-2-(2-thienyl)-1,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl]acetic acid ethyl ester Formula: C14H14N3O3S+ MolecularWeight: 304.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=O)[N+]2=C(N1)C=C(N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC1=CC(=O)[N+]2=C(N1)C=C(N2)C3=CC=CS3

InChI

InChI=1S/C14H13N3O3S/c1-2-20-14(19)7-9-6-13(18)17-12(15-9)8-10(16-17)11-4-3-5-21-11/h3-6,8H,2,7H2,1H3,(H,15,16,18)/p+1