[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

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