[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H20N2O3S2 MolecularWeight: 376.493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

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