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diethyl 2-(2-azanylethylsulfanylmethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylate

diethyl 2-(2-azanylethylsulfanylmethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylate

Systemtic Name:diethyl 2-(2-azanylethylsulfanylmethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylate
Openeye Name:diethyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylate
CAS Name:2-[(2-aminoethylthio)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylic acid diethyl ester
IUPAC Name:diethyl 2-(2-aminoethylsulfanylmethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylate
Traditional Name:2-[(2-aminoethylthio)methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxylic acid diethyl ester
Formula: C22H25F3N2O4S
MolecularWeight: 470.50511
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C)CSCCN)C(=O)OCC)C2=CC(=CC=C2)C(F)(F)F


Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C)CSCCN)C(=O)OCC)C2=CC(=CC=C2)C(F)(F)F


InChI

InChI=1S/C22H25F3N2O4S/c1-4-30-20(28)17-13(3)27-16(12-32-10-9-26)19(21(29)31-5-2)18(17)14-7-6-8-15(11-14)22(23,24)25/h6-8,11H,4-5,9-10,12,26H2,1-3H3


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