(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(N=CC=C2)SC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(N=CC=C2)SC)C)C(C)(C)C

InChI

InChI=1S/C20H25NO2S/c1-13-10-15(20(3,4)5)11-14(2)17(13)12-23-19(22)16-8-7-9-21-18(16)24-6/h7-11H,12H2,1-6H3