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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-naphthalen-1-yloxyethanoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-(1-naphthyloxy)acetate CAS Name: 2-(1-naphthalenyloxy)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-yloxyacetate Traditional Name: 2-(1-naphthoxy)acetic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C23H17N2O4S+ MolecularWeight: 417.45708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCC(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

InChI

InChI=1S/C23H16N2O4S/c26-21-12-16(24-23-25(21)18-9-3-4-11-20(18)30-23)13-29-22(27)14-28-19-10-5-7-15-6-1-2-8-17(15)19/h1-12H,13-14H2/p+1