2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[(4-methylsulfanyl-1-oxidanyl-butan-2-yl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[(4-methylsulfanyl-1-oxidanyl-butan-2-yl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[[1-(hydroxymethyl)-3-methylsulfanyl-propyl]amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[[1-hydroxy-4-(methylthio)butan-2-yl]amino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[[1-methylol-3-(methylthio)propyl]amino]nicotinic acid Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)NC(CCSC)CO)C(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)NC(CCSC)CO)C(=O)O)C)Cl

InChI

InChI=1S/C20H25ClN2O4S/c1-11-7-14(21)8-12(2)18(11)27-19-17(20(25)26)16(9-13(3)22-19)23-15(10-24)5-6-28-4/h7-9,15,24H,5-6,10H2,1-4H3,(H,22,23)(H,25,26)