[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=C(N=CC=C2)SC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=C(N=CC=C2)SC)C)C

InChI

InChI=1S/C19H21NO3S/c1-11-9-13(3)16(10-12(11)2)17(21)14(4)23-19(22)15-7-6-8-20-18(15)24-5/h6-10,14H,1-5H3