[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C19H22N2O3S/c1-4-16(14-9-7-13(2)8-10-14)21-17(22)12-24-19(23)15-6-5-11-20-18(15)25-3/h5-11,16H,4,12H2,1-3H3,(H,21,22)/t16-/m0/s1