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

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic 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 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C21H20N3O3S+ MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4C

InChI

InChI=1S/C21H19N3O3S/c1-4-16-13(3)19(15-7-5-6-8-17(15)23-16)20(26)27-10-14-9-18(25)24-12(2)11-28-21(24)22-14/h5-9,11H,4,10H2,1-3H3/p+1