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

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6S/c1-22-14-8-11(9-15(23-2)16(14)24-3)13(20)10-25-18(21)12-6-5-7-19-17(12)26-4/h5-9H,10H2,1-4H3