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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+]3=C(S2)NC(=CC3=O)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+]3=C(S2)NC(=CC3=O)C(=O)OC

InChI

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