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

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H17NO5S/c1-21-11-6-7-15(22-2)13(9-11)14(19)10-23-17(20)12-5-4-8-18-16(12)24-3/h4-9H,10H2,1-3H3