[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3S2/c1-24-17-15(8-5-9-20-17)18(22)23-12-16(21)19-10-11-25-13-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3,(H,19,21)