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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic 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 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C19H13N2O5S+ MolecularWeight: 381.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

InChI

InChI=1S/C19H12N2O5S/c22-17-8-12(20-19-21(17)13-3-1-2-4-16(13)27-19)9-24-18(23)11-5-6-14-15(7-11)26-10-25-14/h1-8H,9-10H2/p+1