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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-4-13-10(15)8(2)17-12(16)9-6-5-7-14-11(9)18-3/h5-8H,4H2,1-3H3,(H,13,15)/t8-/m0/s1