methyl 8-methyl-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate

Systemtic Name: methyl 8-methyl-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate Openeye Name: methyl 8-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate CAS Name: 8-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 8-methyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate Traditional Name: 4-keto-8-methyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylic acid methyl ester Formula: C13H11N2O3S+ MolecularWeight: 275.30304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+]3=C(S2)NC(=CC3=O)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)[N+]3=C(S2)NC(=CC3=O)C(=O)OC

InChI

InChI=1S/C13H10N2O3S/c1-7-3-4-9-10(5-7)19-13-14-8(12(17)18-2)6-11(16)15(9)13/h3-6H,1-2H3/p+1