methyl 2-(1-ethanoyl-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl)-5-[oxidanyl(phenylsulfanyl)methyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-(1-ethanoyl-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl)-5-[oxidanyl(phenylsulfanyl)methyl]pyridine-3-carboxylate Openeye Name: methyl 2-(1-acetyl-4-isopropyl-4-methyl-5-oxo-imidazol-2-yl)-5-[hydroxy(phenylsulfanyl)methyl]pyridine-3-carboxylate CAS Name: 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-yl-2-imidazolyl)-5-[hydroxy-(phenylthio)methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-[hydroxy(phenylsulfanyl)methyl]pyridine-3-carboxylate Traditional Name: 2-(1-acetyl-4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-[hydroxy-(phenylthio)methyl]nicotinic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)OC)C(O)SC3=CC=CC=C3)C(=O)C)C

Isomeric SMILES

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)OC)C(O)SC3=CC=CC=C3)C(=O)C)C

InChI

InChI=1S/C23H25N3O5S/c1-13(2)23(4)22(30)26(14(3)27)19(25-23)18-17(20(28)31-5)11-15(12-24-18)21(29)32-16-9-7-6-8-10-16/h6-13,21,29H,1-5H3