[(2R)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@@H](C)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H20N2O3S/c1-4-20(14-9-6-5-7-10-14)17(21)13(2)23-18(22)15-11-8-12-19-16(15)24-3/h5-13H,4H2,1-3H3/t13-/m1/s1