methyl 2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate

Systemtic Name: methyl 2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-4-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate Openeye Name: methyl 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[1-(methylsulfanylmethyl)propylamino]pyridine-3-carboxylate CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-[1-(methylthio)butan-2-ylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-[1-[(methylthio)methyl]propylamino]nicotinic acid methyl ester Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC)NC1=CC(=NC(=C1C(=O)OC)OC2=C(C=C(C=C2C)Cl)C)C

Isomeric SMILES

CCC(CSC)NC1=CC(=NC(=C1C(=O)OC)OC2=C(C=C(C=C2C)Cl)C)C

InChI

InChI=1S/C21H27ClN2O3S/c1-7-16(11-28-6)24-17-10-14(4)23-20(18(17)21(25)26-5)27-19-12(2)8-15(22)9-13(19)3/h8-10,16H,7,11H2,1-6H3,(H,23,24)