methyl 7,8-dimethyl-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate

Systemtic Name: methyl 7,8-dimethyl-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate Openeye Name: methyl 7,8-dimethyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate CAS Name: 7,8-dimethyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dimethyl-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate Traditional Name: 4-keto-7,8-dimethyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylic acid methyl ester Formula: C14H13N2O3S+ MolecularWeight: 289.32962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC3=[N+]2C(=O)C=C(N3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC3=[N+]2C(=O)C=C(N3)C(=O)OC

InChI

InChI=1S/C14H12N2O3S/c1-7-4-10-11(5-8(7)2)20-14-15-9(13(18)19-3)6-12(17)16(10)14/h4-6H,1-3H3/p+1