[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)C

InChI

InChI=1S/C18H20N2O3S/c1-4-19-16(21)13(3)23-18(22)15-6-5-11-20-17(15)24-14-9-7-12(2)8-10-14/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m0/s1