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

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-(4-methoxyphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-2-(4-methoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-2-(4-methoxyphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-methoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-5-(4-methoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C23H21N3O4S MolecularWeight: 435.49554

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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)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)CC4=C[NH+]=CC=C4)[O-]

InChI

InChI=1S/C23H21N3O4S/c1-13-22(31-14(2)25-13)20(27)18-19(16-6-8-17(30-3)9-7-16)26(23(29)21(18)28)12-15-5-4-10-24-11-15/h4-11,19,28H,12H2,1-3H3