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

Systemtic Name: [1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(2,5-dimethylphenyl)-2-keto-1-methyl-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)C(C)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

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

InChI

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