2-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 2-(3,4-dimethoxyphenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 2-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 5-(3,4-dimethoxyphenyl)-4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)CC4=C[NH+]=CC=C4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=C(C=C3)OC)OC)CC4=C[NH+]=CC=C4)[O-]

InChI

InChI=1S/C24H23N3O5S/c1-13-23(33-14(2)26-13)21(28)19-20(16-7-8-17(31-3)18(10-16)32-4)27(24(30)22(19)29)12-15-6-5-9-25-11-15/h5-11,20,29H,12H2,1-4H3