methyl 2-[4-(4-methoxy-3-methyl-phenyl)carbonyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[4-(4-methoxy-3-methyl-phenyl)carbonyl-2,3-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[4-(4-methoxy-3-methyl-benzoyl)-2,3-dioxo-5-pyridin-1-ium-3-yl-pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-[(4-methoxy-3-methylphenyl)-oxomethyl]-2,3-dioxo-5-(3-pyridin-1-iumyl)-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-methoxy-3-methylbenzoyl)-2,3-dioxo-5-pyridin-1-ium-3-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2,3-diketo-4-(4-methoxy-3-methyl-benzoyl)-5-pyridin-1-ium-3-yl-pyrrolidino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C24H22N3O6S+ MolecularWeight: 480.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=C[NH+]=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=C[NH+]=CC=C4)OC

InChI

InChI=1S/C24H21N3O6S/c1-12-10-14(7-8-16(12)32-3)19(28)17-18(15-6-5-9-25-11-15)27(22(30)20(17)29)24-26-13(2)21(34-24)23(31)33-4/h5-11,17-18H,1-4H3/p+1