[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (2-keto-1-methyl-2-p-phenetyl-ethyl) ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H19NO4S/c1-4-22-14-9-7-13(8-10-14)16(20)12(2)23-18(21)15-6-5-11-19-17(15)24-3/h5-12H,4H2,1-3H3