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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl butanoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C15H15N2O3S+ MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32

Isomeric SMILES

CCCC(=O)OCC1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32

InChI

InChI=1S/C15H14N2O3S/c1-2-5-14(19)20-9-10-8-13(18)17-11-6-3-4-7-12(11)21-15(17)16-10/h3-4,6-8H,2,5,9H2,1H3/p+1