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

Systemtic Name: ethyl 8-methoxy-4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylate Openeye Name: ethyl 8-methoxy-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylate CAS Name: 8-methoxy-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-methoxy-4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylate Traditional Name: 4-keto-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylic acid ethyl ester Formula: C14H13N2O4S+ MolecularWeight: 305.32902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=[N+](C1=O)C3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CNC2=[N+](C1=O)C3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C14H12N2O4S/c1-3-20-13(18)9-7-15-14-16(12(9)17)10-5-4-8(19-2)6-11(10)21-14/h4-7H,3H2,1-2H3/p+1