3-ethyl-8-methoxy-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one

Systemtic Name: 3-ethyl-8-methoxy-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 3-ethyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 3-ethyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 3-ethyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 3-ethyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C13H13N2O3S+ MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

Isomeric SMILES

CCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

InChI

InChI=1S/C13H12N2O3S/c1-3-8-11(16)14-13-15(12(8)17)9-5-4-7(18-2)6-10(9)19-13/h4-6H,3H2,1-2H3,(H,16,17)/p+1