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

Systemtic Name: 3-butyl-8-methoxy-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 3-butyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 3-butyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 3-butyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 3-butyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C15H17N2O3S+ MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

Isomeric SMILES

CCCCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

InChI

InChI=1S/C15H16N2O3S/c1-3-4-5-10-13(18)16-15-17(14(10)19)11-7-6-9(20-2)8-12(11)21-15/h6-8H,3-5H2,1-2H3,(H,18,19)/p+1