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

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H20N2O3S/c1-13(16(21)19-12-10-14-7-4-3-5-8-14)23-18(22)15-9-6-11-20-17(15)24-2/h3-9,11,13H,10,12H2,1-2H3,(H,19,21)