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

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-cyanocyclopentane-1-carboxylate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-cyanocyclopentanecarboxylate CAS Name: 1-cyano-1-cyclopentanecarboxylic acid (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-cyanocyclopentane-1-carboxylate Traditional Name: 1-cyanocyclopentanecarboxylic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C15H16N3O3S+ MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3(CCCC3)C#N

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3(CCCC3)C#N

InChI

InChI=1S/C15H15N3O3S/c1-10-8-22-14-17-11(6-12(19)18(10)14)7-21-13(20)15(9-16)4-2-3-5-15/h6,8H,2-5,7H2,1H3/p+1