3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-(4-ethoxyphenyl)-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-ethoxyphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-2-(4-ethoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-2-(4-ethoxyphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-ethoxyphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-5-p-phenetyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=C(N=C(S4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=C(N=C(S4)C)C

InChI

InChI=1S/C24H23N3O4S/c1-4-31-18-9-7-17(8-10-18)20-19(21(28)23-14(2)26-15(3)32-23)22(29)24(30)27(20)13-16-6-5-11-25-12-16/h5-12,20,29H,4,13H2,1-3H3