[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C15H16N2O3S2/c1-21-14-12(5-2-7-17-14)15(19)20-10-13(18)16-8-6-11-4-3-9-22-11/h2-5,7,9H,6,8,10H2,1H3,(H,16,18)