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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-methoxyethanoate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 2-methoxyacetate CAS Name: 2-methoxyacetic 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 2-methoxyacetate Traditional Name: 2-methoxyacetic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C14H13N2O4S+ MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)OCC1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32

Isomeric SMILES

COCC(=O)OCC1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32

InChI

InChI=1S/C14H12N2O4S/c1-19-8-13(18)20-7-9-6-12(17)16-10-4-2-3-5-11(10)21-14(16)15-9/h2-6H,7-8H2,1H3/p+1