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

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-phenylcyclopentane-1-carboxylate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-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-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O3S/c1-14-13-26-19-21-16(11-17(23)22(14)19)12-25-18(24)20(9-5-6-10-20)15-7-3-2-4-8-15/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3/p+1