1-ethyl-3-methyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione

Systemtic Name: 1-ethyl-3-methyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Openeye Name: 1-ethyl-3-methyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione CAS Name: 1-ethyl-3-methylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione IUPAC Name: 1-ethyl-3-methylpyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-dione Traditional Name: 1-ethyl-3-methyl-pyrimido[2,1-b][1,3]benzothiazol-1-ium-2,4-quinone Formula: C13H13N2O2S+ MolecularWeight: 261.31952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2N(C3=CC=CC=C3S2)C(=O)C(C1=O)C

Isomeric SMILES

CC[N+]1=C2N(C3=CC=CC=C3S2)C(=O)C(C1=O)C

InChI

InChI=1S/C13H13N2O2S/c1-3-14-11(16)8(2)12(17)15-9-6-4-5-7-10(9)18-13(14)15/h4-8H,3H2,1-2H3/q+1