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

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H20N2O6S/c1-23-13-8-11(9-14(24-2)16(13)25-3)20-15(21)10-26-18(22)12-6-5-7-19-17(12)27-4/h5-9H,10H2,1-4H3,(H,20,21)