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

Systemtic Name: 2-(4-ethoxy-2,6-dimethyl-phenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methyl-pyridine-3-carboxylic acid Openeye Name: 2-(4-ethoxy-2,6-dimethyl-phenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methyl-pyridine-3-carboxylic acid CAS Name: 2-(4-ethoxy-2,6-dimethylphenoxy)-4-[hydroxymethyl-[3-(methylthio)propyl]amino]-6-methyl-3-pyridinecarboxylic acid IUPAC Name: 2-(4-ethoxy-2,6-dimethylphenoxy)-4-[hydroxymethyl(3-methylsulfanylpropyl)amino]-6-methylpyridine-3-carboxylic acid Traditional Name: 2-(4-ethoxy-2,6-dimethyl-phenoxy)-6-methyl-4-[methylol-[3-(methylthio)propyl]amino]nicotinic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=N2)C)N(CCCSC)CO)C(=O)O)C

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=N2)C)N(CCCSC)CO)C(=O)O)C

InChI

InChI=1S/C22H30N2O5S/c1-6-28-17-10-14(2)20(15(3)11-17)29-21-19(22(26)27)18(12-16(4)23-21)24(13-25)8-7-9-30-5/h10-12,25H,6-9,13H2,1-5H3,(H,26,27)