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

Systemtic Name: 2-(4-chloranyl-2,6-dimethoxy-phenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethoxy-phenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethoxyphenoxy)-4-[hydroxymethyl-[3-(methylthio)propyl]amino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethoxyphenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethoxy-phenoxy)-6-methyl-4-[methylol-[3-(methylthio)propyl]amino]nicotinic acid Formula: C20H25ClN2O6S MolecularWeight: 456.9403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)N(CCCSC)CO)C(=O)O)OC2=C(C=C(C=C2OC)Cl)OC

Isomeric SMILES

CC1=NC(=C(C(=C1)N(CCCSC)CO)C(=O)O)OC2=C(C=C(C=C2OC)Cl)OC

InChI

InChI=1S/C20H25ClN2O6S/c1-12-8-14(23(11-24)6-5-7-30-4)17(20(25)26)19(22-12)29-18-15(27-2)9-13(21)10-16(18)28-3/h8-10,24H,5-7,11H2,1-4H3,(H,25,26)