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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-[methylsulfanylmethyl(propyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[methylsulfanylmethyl(propyl)amino]pyridine-3-carboxylic acid CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[(methylthio)methyl-propylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[methylsulfanylmethyl(propyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[(methylthio)methyl-propyl-amino]nicotinic acid Formula: C20H25ClN2O3S MolecularWeight: 408.9421

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CSC)C1=CC(=NC(=C1C(=O)O)OC2=C(C=C(C=C2C)Cl)C)C

Isomeric SMILES

CCCN(CSC)C1=CC(=NC(=C1C(=O)O)OC2=C(C=C(C=C2C)Cl)C)C

InChI

InChI=1S/C20H25ClN2O3S/c1-6-7-23(11-27-5)16-10-14(4)22-19(17(16)20(24)25)26-18-12(2)8-15(21)9-13(18)3/h8-10H,6-7,11H2,1-5H3,(H,24,25)