methyl (2Z)-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole-5-carboxylate

Systemtic Name: methyl (2Z)-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole-5-carboxylate Openeye Name: methyl (2Z)-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazole-5-carboxylate CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole-5-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole-5-carboxylate Traditional Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazole-5-carboxylic acid methyl ester Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)OC)SC1=CC3=[N+](C4=C(C=C3)C=C(C=C4)OC)CC

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C(=O)OC)S/C1=C\C3=[N+](C4=C(C=C3)C=C(C=C4)OC)CC

InChI

InChI=1S/C24H25N2O3S/c1-5-25-18(9-7-16-13-19(28-3)10-11-20(16)25)15-23-26(6-2)21-14-17(24(27)29-4)8-12-22(21)30-23/h7-15H,5-6H2,1-4H3/q+1