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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl pentanoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C16H17N2O3S+ MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-2-3-8-15(20)21-10-11-9-14(19)18-12-6-4-5-7-13(12)22-16(18)17-11/h4-7,9H,2-3,8,10H2,1H3/p+1