ethyl 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-4,6-diphenylpyridin-1-ium-2-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-4,6-diphenyl-pyridin-1-ium-2-carboxylic acid ethyl ester Formula: C27H21N2O2S+ MolecularWeight: 437.53284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=[N+]1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=[N+]1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N2O2S/c1-2-31-26(30)24-18-21(19-11-5-3-6-12-19)17-23(20-13-7-4-8-14-20)29(24)27-28-22-15-9-10-16-25(22)32-27/h3-18H,2H2,1H3/q+1