(4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C21H15N4O4S+ MolecularWeight: 419.4332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

InChI

InChI=1S/C21H14N4O4S/c1-24-19(27)14-7-3-2-6-13(14)18(23-24)20(28)29-11-12-10-17(26)25-15-8-4-5-9-16(15)30-21(25)22-12/h2-10H,11H2,1H3/p+1