3-(8-methoxy-4-oxidanyl-2-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoic acid

Systemtic Name: 3-(8-methoxy-4-oxidanyl-2-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoic acid Openeye Name: 3-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoic acid CAS Name: 3-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoic acid IUPAC Name: 3-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoic acid Traditional Name: 3-(4-hydroxy-2-keto-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propionic acid Formula: C14H13N2O5S+ MolecularWeight: 321.32842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+]3=C(S2)NC(=O)C(=C3O)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)[N+]3=C(S2)NC(=O)C(=C3O)CCC(=O)O

InChI

InChI=1S/C14H12N2O5S/c1-21-7-2-4-9-10(6-7)22-14-15-12(19)8(3-5-11(17)18)13(20)16(9)14/h2,4,6H,3,5H2,1H3,(H2,17,18,19,20)/p+1