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

Systemtic Name: ethyl 2-(8-methoxy-4-oxidanyl-2-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)ethanoate Openeye Name: ethyl 2-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)acetate CAS Name: 2-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)acetate Traditional Name: 2-(4-hydroxy-2-keto-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)acetic acid ethyl ester Formula: C15H15N2O5S+ MolecularWeight: 335.355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

Isomeric SMILES

CCOC(=O)CC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

InChI

InChI=1S/C15H14N2O5S/c1-3-22-12(18)7-9-13(19)16-15-17(14(9)20)10-5-4-8(21-2)6-11(10)23-15/h4-6H,3,7H2,1-2H3,(H,19,20)/p+1