[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=C(N=CC=C2)SC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=C(N=CC=C2)SC)OC)OC

InChI

InChI=1S/C19H22N2O6S/c1-24-14-9-16(26-3)15(25-2)8-12(14)10-21-17(22)11-27-19(23)13-6-5-7-20-18(13)28-4/h5-9H,10-11H2,1-4H3,(H,21,22)