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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H18N2O3S/c1-12-6-3-4-7-13(12)10-19-15(20)11-22-17(21)14-8-5-9-18-16(14)23-2/h3-9H,10-11H2,1-2H3,(H,19,20)