2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methyl-pyridine-3-carboxylic acid

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[hydroxymethyl-[3-(methylthio)propyl]amino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[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)N(CCCSC)CO)C(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)N(CCCSC)CO)C(=O)O)C)Cl

InChI

InChI=1S/C20H25ClN2O4S/c1-12-8-15(21)9-13(2)18(12)27-19-17(20(25)26)16(10-14(3)22-19)23(11-24)6-5-7-28-4/h8-10,24H,5-7,11H2,1-4H3,(H,25,26)