1,3-diethyl-2-oxidanyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-4-one

Systemtic Name: 1,3-diethyl-2-oxidanyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-4-one Openeye Name: 1,3-diethyl-2-hydroxy-pyrimido[2,1-b][1,3]benzothiazol-1-ium-4-one CAS Name: 1,3-diethyl-2-hydroxy-4-pyrimido[2,1-b][1,3]benzothiazol-1-iumone IUPAC Name: 1,3-diethyl-2-hydroxypyrimido[2,1-b][1,3]benzothiazol-1-ium-4-one Traditional Name: 1,3-diethyl-2-hydroxy-pyrimido[2,1-b][1,3]benzothiazol-1-ium-4-one Formula: C14H15N2O2S+ MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](=C2N(C1=O)C3=CC=CC=C3S2)CC)O

Isomeric SMILES

CCC1=C([N+](=C2N(C1=O)C3=CC=CC=C3S2)CC)O

InChI

InChI=1S/C14H14N2O2S/c1-3-9-12(17)15(4-2)14-16(13(9)18)10-7-5-6-8-11(10)19-14/h5-8H,3-4H2,1-2H3/p+1