(4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-naphthalen-1-ylethanoate

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-naphthalen-1-ylethanoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)acetic acid (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-naphthalen-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C23H17N2O3S+ MolecularWeight: 401.45768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

InChI

InChI=1S/C23H16N2O3S/c26-21-13-17(24-23-25(21)19-10-3-4-11-20(19)29-23)14-28-22(27)12-16-8-5-7-15-6-1-2-9-18(15)16/h1-11,13H,12,14H2/p+1