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

Systemtic Name: 2-(1-ethanoyl-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl)-5-[oxidanyl(phenylsulfanyl)methyl]pyridine-3-carboxylic acid Openeye Name: 2-(1-acetyl-4-isopropyl-4-methyl-5-oxo-imidazol-2-yl)-5-[hydroxy(phenylsulfanyl)methyl]pyridine-3-carboxylic acid CAS Name: 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-yl-2-imidazolyl)-5-[hydroxy-(phenylthio)methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-acetyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-[hydroxy(phenylsulfanyl)methyl]pyridine-3-carboxylic acid Traditional Name: 2-(1-acetyl-4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-[hydroxy-(phenylthio)methyl]nicotinic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23N3O5S/c1-12(2)22(4)21(30)25(13(3)26)18(24-22)17-16(19(27)28)10-14(11-23-17)20(29)31-15-8-6-5-7-9-15/h5-12,20,29H,1-4H3,(H,27,28)