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

Systemtic Name: ethyl 3-(8-methoxy-4-oxidanyl-2-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoate Openeye Name: ethyl 3-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoate CAS Name: 3-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-hydroxy-8-methoxy-2-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propanoate Traditional Name: 3-(4-hydroxy-2-keto-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-yl)propionic acid ethyl ester Formula: C16H17N2O5S+ MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

Isomeric SMILES

CCOC(=O)CCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

InChI

InChI=1S/C16H16N2O5S/c1-3-23-13(19)7-5-10-14(20)17-16-18(15(10)21)11-6-4-9(22-2)8-12(11)24-16/h4,6,8H,3,5,7H2,1-2H3,(H,20,21)/p+1