[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2-keto-2-mesityl-ethyl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(N=CC=C2)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(N=CC=C2)SC)C

InChI

InChI=1S/C18H19NO3S/c1-11-8-12(2)16(13(3)9-11)15(20)10-22-18(21)14-6-5-7-19-17(14)23-4/h5-9H,10H2,1-4H3